(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide

C19H30N4O2 — CID 9300430

IUPAC(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)17-7-5-16(6-8-17)13-22-9-11-23(12-10-22)15(3)18(24)21-19(25)20-4/h5-8,14-15H,9-13H2,1-4H3,(H2,20,21,24,25)/t15-/m0/s1
InChIKeyIXOXQDANDBMORC-HNNXBMFYSA-N
MW346.48 g/mol
LogP1.77
Rot. Bonds5

About (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide

(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 9300430) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID9300430
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)17-7-5-16(6-8-17)13-22-9-11-23(12-10-22)15(3)18(24)21-19(25)20-4/h5-8,14-15H,9-13H2,1-4H3,(H2,20,21,24,25)/t15-/m0/s1
InChIKeyIXOXQDANDBMORC-HNNXBMFYSA-N
XLogP1.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9389745
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531278
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51726510
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
ethyl 2-(4-chlorophenyl)-2-[4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 42939526
ethyl (2R)-2-(4-chlorophenyl)-2-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 30723639
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 30723646
(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide (CID 9300430) is (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide is CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is IXOXQDANDBMORC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)17-7-5-16(6-8-17)13-22-9-11-23(12-10-22)15(3)18(24)21-19(25)20-4/h5-8,14-15H,9-13H2,1-4H3,(H2,20,21,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide?
(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9300430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).