3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide

C15H27N3O2 — CID 119758308

IUPAC3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C15H27N3O2/c16-13-5-1-4-12(9-13)15(20)18-8-2-3-11(10-18)6-7-14(17)19/h11-13H,1-10,16H2,(H2,17,19)
InChIKeyRBBPLPSRCYCVAT-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.01
Rot. Bonds4

About 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide

3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide (PubChem CID 119758308) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
PubChem CID119758308
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C15H27N3O2/c16-13-5-1-4-12(9-13)15(20)18-8-2-3-11(10-18)6-7-14(17)19/h11-13H,1-10,16H2,(H2,17,19)
InChIKeyRBBPLPSRCYCVAT-UHFFFAOYSA-N
XLogP1.01
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807817
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761565
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
[3-(2-chloroethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63395841
3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
CID 166220958
3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
CID 124592205
(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide (CID 119758308) is 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(C(=O)C2CCCC(N)C2)C1.
What is the InChIKey of 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide?
The InChIKey is RBBPLPSRCYCVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-13-5-1-4-12(9-13)15(20)18-8-2-3-11(10-18)6-7-14(17)19/h11-13H,1-10,16H2,(H2,17,19).
What are the key properties of 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide?
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 119758308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).