N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide

C14H21N3O2 — CID 108922380

IUPACN-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
SMILESN#CCC(=O)N1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C14H21N3O2/c15-8-5-13(18)17-9-6-12(7-10-17)16-14(19)11-3-1-2-4-11/h11-12H,1-7,9-10H2,(H,16,19)
InChIKeyISUBPKHTXYECTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds3

About N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide

N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide (PubChem CID 108922380) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
PubChem CID108922380
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
SMILESN#CCC(=O)N1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C14H21N3O2/c15-8-5-13(18)17-9-6-12(7-10-17)16-14(19)11-3-1-2-4-11/h11-12H,1-7,9-10H2,(H,16,19)
InChIKeyISUBPKHTXYECTE-UHFFFAOYSA-N
XLogP1.20
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(2-cyanoacetyl)piperidin-4-yl]propanamide
CID 108563263
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231
(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide
CID 108922448
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
3-(4-acetylpiperidin-1-yl)-3-oxopropanenitrile;ethane
CID 144882446
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
[1-(2-cyanoacetyl)pyrrolidin-3-yl]carbamic acid
CID 118077504
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide
CID 108922439
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide (CID 108922380) is N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide is N#CCC(=O)N1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide?
The InChIKey is ISUBPKHTXYECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-8-5-13(18)17-9-6-12(7-10-17)16-14(19)11-3-1-2-4-11/h11-12H,1-7,9-10H2,(H,16,19).
What are the key properties of N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide?
N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 108922380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).