N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide

C22H27N3O2 — CID 97272246

IUPACN-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc2ccccc12
InChIInChI=1S/C22H27N3O2/c26-21(20-11-5-9-18-8-1-2-10-19(18)20)23-15-17-7-6-14-25(16-17)22(27)24-12-3-4-13-24/h1-2,5,8-11,17H,3-4,6-7,12-16H2,(H,23,26)/t17-/m0/s1
InChIKeyMIZPIIMKGWOLRA-KRWDZBQOSA-N
MW365.48 g/mol
LogP3.50
Rot. Bonds3

About N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 97272246) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID97272246
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc2ccccc12
InChIInChI=1S/C22H27N3O2/c26-21(20-11-5-9-18-8-1-2-10-19(18)20)23-15-17-7-6-14-25(16-17)22(27)24-12-3-4-13-24/h1-2,5,8-11,17H,3-4,6-7,12-16H2,(H,23,26)/t17-/m0/s1
InChIKeyMIZPIIMKGWOLRA-KRWDZBQOSA-N
XLogP3.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26405742
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 97272246) is N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide is O=C(NC[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is MIZPIIMKGWOLRA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(20-11-5-9-18-8-1-2-10-19(18)20)23-15-17-7-6-14-25(16-17)22(27)24-12-3-4-13-24/h1-2,5,8-11,17H,3-4,6-7,12-16H2,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97272246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).