3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one

C23H30N2O — CID 84562994

IUPAC3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C23H30N2O/c1-18-7-4-5-15-25(18)23(26)14-16-24(21-12-13-21)17-20-10-6-9-19-8-2-3-11-22(19)20/h2-3,6,8-11,18,21H,4-5,7,12-17H2,1H3
InChIKeyQKIFUHHNQPOKBR-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.60
Rot. Bonds6

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 84562994) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID84562994
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C23H30N2O/c1-18-7-4-5-15-25(18)23(26)14-16-24(21-12-13-21)17-20-10-6-9-19-8-2-3-11-22(19)20/h2-3,6,8-11,18,21H,4-5,7,12-17H2,1H3
InChIKeyQKIFUHHNQPOKBR-UHFFFAOYSA-N
XLogP4.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 84562978
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one
CID 84563577
2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
CID 84567246
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 84565015
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one (CID 84562994) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is QKIFUHHNQPOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-7-4-5-15-25(18)23(26)14-16-24(21-12-13-21)17-20-10-6-9-19-8-2-3-11-22(19)20/h2-3,6,8-11,18,21H,4-5,7,12-17H2,1H3.
What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 350.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 84562994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).