N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide

C21H27N3O — CID 91830165

IUPACN-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
SMILESO=C(CCN1CC(N2CCCCC2)C1)Nc1cccc2ccccc12
InChIInChI=1S/C21H27N3O/c25-21(22-20-10-6-8-17-7-2-3-9-19(17)20)11-14-23-15-18(16-23)24-12-4-1-5-13-24/h2-3,6-10,18H,1,4-5,11-16H2,(H,22,25)
InChIKeyBMCBDZSMGJKHCM-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.34
Rot. Bonds5

About N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide

N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide (PubChem CID 91830165) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
PubChem CID91830165
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
SMILESO=C(CCN1CC(N2CCCCC2)C1)Nc1cccc2ccccc12
InChIInChI=1S/C21H27N3O/c25-21(22-20-10-6-8-17-7-2-3-9-19(17)20)11-14-23-15-18(16-23)24-12-4-1-5-13-24/h2-3,6-10,18H,1,4-5,11-16H2,(H,22,25)
InChIKeyBMCBDZSMGJKHCM-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004
3-(2-methylmorpholin-4-yl)-N-naphthalen-1-ylpropanamide
CID 46683190
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid
CID 146107417
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
CID 43037962
N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide
CID 154866210
3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 30737698
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-naphthalen-1-ylpropanamide
CID 24596310
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
The IUPAC name of N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide (CID 91830165) is N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide is O=C(CCN1CC(N2CCCCC2)C1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
The InChIKey is BMCBDZSMGJKHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(22-20-10-6-8-17-7-2-3-9-19(17)20)11-14-23-15-18(16-23)24-12-4-1-5-13-24/h2-3,6-10,18H,1,4-5,11-16H2,(H,22,25).
What are the key properties of N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide is sourced from PubChem (CID 91830165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).