N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide

C23H31N3O2 — CID 78852133

IUPACN-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H31N3O2/c1-17(2)26-14-11-21(12-15-26)25(3)22(27)10-13-24-23(28)20-9-8-18-6-4-5-7-19(18)16-20/h4-9,16-17,21H,10-15H2,1-3H3,(H,24,28)
InChIKeyOXRVHJLCOBMTFI-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.29
Rot. Bonds6

About N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 78852133) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID78852133
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H31N3O2/c1-17(2)26-14-11-21(12-15-26)25(3)22(27)10-13-24-23(28)20-9-8-18-6-4-5-7-19(18)16-20/h4-9,16-17,21H,10-15H2,1-3H3,(H,24,28)
InChIKeyOXRVHJLCOBMTFI-UHFFFAOYSA-N
XLogP3.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 134054053
3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
CID 119189971
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
3-(cyclopropylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 54870177
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
CID 75429098
benzyl N-[4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutyl]carbamate
CID 51121113
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 78852133) is N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide is CC(C)N1CCC(N(C)C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is OXRVHJLCOBMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17(2)26-14-11-21(12-15-26)25(3)22(27)10-13-24-23(28)20-9-8-18-6-4-5-7-19(18)16-20/h4-9,16-17,21H,10-15H2,1-3H3,(H,24,28).
What are the key properties of N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 78852133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).