N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide

C23H34N4O2 — CID 154807500

IUPACN-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)C1CCCC1)N1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(25-14-16-27(17-15-25)23(29)26-12-6-7-13-26)24-21(20-10-4-5-11-20)18-19-8-2-1-3-9-19/h1-3,8-9,20-21H,4-7,10-18H2,(H,24,28)
InChIKeyVMFDEWQDWDLQIU-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds4

About N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide

N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide (PubChem CID 154807500) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
PubChem CID154807500
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)C1CCCC1)N1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(25-14-16-27(17-15-25)23(29)26-12-6-7-13-26)24-21(20-10-4-5-11-20)18-19-8-2-1-3-9-19/h1-3,8-9,20-21H,4-7,10-18H2,(H,24,28)
InChIKeyVMFDEWQDWDLQIU-UHFFFAOYSA-N
XLogP3.33
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide
CID 56793712
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
CID 95632147
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
N-[1-[(1-cyclopentyl-2-phenylethyl)amino]-1-oxopropan-2-yl]benzamide
CID 86945414
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide (CID 154807500) is N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide is O=C(NC(Cc1ccccc1)C1CCCC1)N1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
The InChIKey is VMFDEWQDWDLQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c28-22(25-14-16-27(17-15-25)23(29)26-12-6-7-13-26)24-21(20-10-4-5-11-20)18-19-8-2-1-3-9-19/h1-3,8-9,20-21H,4-7,10-18H2,(H,24,28).
What are the key properties of N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 154807500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).