N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide

C21H26N2O — CID 119697816

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2c3c(cccc13)CC2)C1CCCNC1
InChIInChI=1S/C21H26N2O/c1-14(17-5-3-11-22-13-17)12-20(24)23-19-10-9-16-8-7-15-4-2-6-18(19)21(15)16/h2,4,6,9-10,14,17,22H,3,5,7-8,11-13H2,1H3,(H,23,24)
InChIKeySIFTYPZHEUURDY-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.90
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide

N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119697816) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide
PubChem CID119697816
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2c3c(cccc13)CC2)C1CCCNC1
InChIInChI=1S/C21H26N2O/c1-14(17-5-3-11-22-13-17)12-20(24)23-19-10-9-16-8-7-15-4-2-6-18(19)21(15)16/h2,4,6,9-10,14,17,22H,3,5,7-8,11-13H2,1H3,(H,23,24)
InChIKeySIFTYPZHEUURDY-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119850277
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide (CID 119697816) is N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc2c3c(cccc13)CC2)C1CCCNC1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is SIFTYPZHEUURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14(17-5-3-11-22-13-17)12-20(24)23-19-10-9-16-8-7-15-4-2-6-18(19)21(15)16/h2,4,6,9-10,14,17,22H,3,5,7-8,11-13H2,1H3,(H,23,24).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 322.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119697816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).