[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone

C21H30N2O — CID 119621878

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
SMILESCC1(C(=O)N2CCC(NCC3CC3)CC2)CCCc2ccccc21
InChIInChI=1S/C21H30N2O/c1-21(12-4-6-17-5-2-3-7-19(17)21)20(24)23-13-10-18(11-14-23)22-15-16-8-9-16/h2-3,5,7,16,18,22H,4,6,8-15H2,1H3
InChIKeyDXDPGXIVBSKLPJ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.27
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone (PubChem CID 119621878) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
PubChem CID119621878
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
SMILESCC1(C(=O)N2CCC(NCC3CC3)CC2)CCCc2ccccc21
InChIInChI=1S/C21H30N2O/c1-21(12-4-6-17-5-2-3-7-19(17)21)20(24)23-13-10-18(11-14-23)22-15-16-8-9-16/h2-3,5,7,16,18,22H,4,6,8-15H2,1H3
InChIKeyDXDPGXIVBSKLPJ-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 120657959
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
CID 111110346
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 119622236
tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119449830
phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride
CID 129284793
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119622558
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623522

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone (CID 119621878) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone is CC1(C(=O)N2CCC(NCC3CC3)CC2)CCCc2ccccc21.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
The InChIKey is DXDPGXIVBSKLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-21(12-4-6-17-5-2-3-7-19(17)21)20(24)23-13-10-18(11-14-23)22-15-16-8-9-16/h2-3,5,7,16,18,22H,4,6,8-15H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone has a molecular weight of 326.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone is sourced from PubChem (CID 119621878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).