1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide

C20H29N3O2 — CID 119295785

IUPAC1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H29N3O2/c21-20(12-4-5-13-20)19(25)22-17-10-14-23(15-11-17)18(24)9-8-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15,21H2,(H,22,25)
InChIKeyHMSVVTTYZZXVLZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.00
Rot. Bonds5

About 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide

1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 119295785) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
PubChem CID119295785
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H29N3O2/c21-20(12-4-5-13-20)19(25)22-17-10-14-23(15-11-17)18(24)9-8-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15,21H2,(H,22,25)
InChIKeyHMSVVTTYZZXVLZ-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
CID 86782613

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide (CID 119295785) is 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide is NC1(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CCCC1.
What is the InChIKey of 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is HMSVVTTYZZXVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-20(12-4-5-13-20)19(25)22-17-10-14-23(15-11-17)18(24)9-8-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15,21H2,(H,22,25).
What are the key properties of 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119295785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).