N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C20H30N4O3 — CID 18093958

IUPACN-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)NC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-15(19(25)22-20(26)21-16-5-3-4-6-16)23-11-13-24(14-12-23)17-7-9-18(27-2)10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H2,21,22,25,26)
InChIKeyWFZCXNAUNFHUQV-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.97
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 18093958) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID18093958
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)NC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-15(19(25)22-20(26)21-16-5-3-4-6-16)23-11-13-24(14-12-23)17-7-9-18(27-2)10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H2,21,22,25,26)
InChIKeyWFZCXNAUNFHUQV-UHFFFAOYSA-N
XLogP1.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9462162
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
(2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461962
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 18093958) is N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN(C(C)C(=O)NC(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is WFZCXNAUNFHUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(19(25)22-20(26)21-16-5-3-4-6-16)23-11-13-24(14-12-23)17-7-9-18(27-2)10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H2,21,22,25,26).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18093958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).