N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide

C24H33FN4O5 — CID 163175820

IUPACN-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1C(=O)NC(CC1CCCCC1)C(N)=O
InChIInChI=1S/C24H33FN4O5/c1-34-15-21(30)29-11-10-28(24(33)17-8-5-9-18(25)13-17)14-20(29)23(32)27-19(22(26)31)12-16-6-3-2-4-7-16/h5,8-9,13,16,19-20H,2-4,6-7,10-12,14-15H2,1H3,(H2,26,31)(H,27,32)
InChIKeyXEOXCJJYDRWTMY-UHFFFAOYSA-N
MW476.55 g/mol
LogP1.07
Rot. Bonds8

About N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide

N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide (PubChem CID 163175820) has the molecular formula C24H33FN4O5 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide
PubChem CID163175820
Molecular FormulaC24H33FN4O5
Molecular Weight476.55 g/mol
Exact Mass476.24
IUPAC NameN-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1C(=O)NC(CC1CCCCC1)C(N)=O
InChIInChI=1S/C24H33FN4O5/c1-34-15-21(30)29-11-10-28(24(33)17-8-5-9-18(25)13-17)14-20(29)23(32)27-19(22(26)31)12-16-6-3-2-4-7-16/h5,8-9,13,16,19-20H,2-4,6-7,10-12,14-15H2,1H3,(H2,26,31)(H,27,32)
InChIKeyXEOXCJJYDRWTMY-UHFFFAOYSA-N
XLogP1.07
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R)-2-[[(2R)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate
CID 163074423
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 11887607
(2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
CID 45361701
4-[(2S,4S)-2-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]-4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]-4-oxobutanoate
CID 7134569
(2S)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)piperazine-2-carboxamide
CID 11887590
methyl 3-cyclohexyl-2-[[1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 78449005
methyl (2S)-3-cyclohexyl-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162805669
(3S)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide
CID 7164917
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
3-[[1-(2-methoxyacetyl)-4-(3-methoxybenzoyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 23768156
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 7165018
methyl (2S)-3-cyclohexyl-2-[[(2S)-4-(piperidine-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 163161043

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The IUPAC name of N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide (CID 163175820) is N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The canonical SMILES for N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide is COCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1C(=O)NC(CC1CCCCC1)C(N)=O.
What is the InChIKey of N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The InChIKey is XEOXCJJYDRWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O5/c1-34-15-21(30)29-11-10-28(24(33)17-8-5-9-18(25)13-17)14-20(29)23(32)27-19(22(26)31)12-16-6-3-2-4-7-16/h5,8-9,13,16,19-20H,2-4,6-7,10-12,14-15H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide?
N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 163175820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).