N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide

C21H35N3O2 — CID 42881437

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(N2CCC(C(=O)NC3CC4CCC3C4)CC2)CC1
InChIInChI=1S/C21H35N3O2/c1-2-20(25)24-11-7-18(8-12-24)23-9-5-16(6-10-23)21(26)22-19-14-15-3-4-17(19)13-15/h15-19H,2-14H2,1H3,(H,22,26)
InChIKeyIEXHVZNMOKXWOW-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.40
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 42881437) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID42881437
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(N2CCC(C(=O)NC3CC4CCC3C4)CC2)CC1
InChIInChI=1S/C21H35N3O2/c1-2-20(25)24-11-7-18(8-12-24)23-9-5-16(6-10-23)21(26)22-19-14-15-3-4-17(19)13-15/h15-19H,2-14H2,1H3,(H,22,26)
InChIKeyIEXHVZNMOKXWOW-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 67074263
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 98112728
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881212
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1-carboxamide
CID 115641993
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 124832494

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide (CID 42881437) is N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide is CCC(=O)N1CCC(N2CCC(C(=O)NC3CC4CCC3C4)CC2)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IEXHVZNMOKXWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-2-20(25)24-11-7-18(8-12-24)23-9-5-16(6-10-23)21(26)22-19-14-15-3-4-17(19)13-15/h15-19H,2-14H2,1H3,(H,22,26).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42881437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).