N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

C23H28N4O — CID 42216008

IUPACN-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCCn1cc(CN2CCC[C@@H](CNC(=O)c3cccc4ccccc34)C2)cn1
InChIInChI=1S/C23H28N4O/c1-2-27-17-19(14-25-27)16-26-12-6-7-18(15-26)13-24-23(28)22-11-5-9-20-8-3-4-10-21(20)22/h3-5,8-11,14,17-18H,2,6-7,12-13,15-16H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeySAJBVTJJGWKVQO-SFHVURJKSA-N
MW376.50 g/mol
LogP3.70
Rot. Bonds6

About N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 42216008) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID42216008
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCCn1cc(CN2CCC[C@@H](CNC(=O)c3cccc4ccccc34)C2)cn1
InChIInChI=1S/C23H28N4O/c1-2-27-17-19(14-25-27)16-26-12-6-7-18(15-26)13-24-23(28)22-11-5-9-20-8-3-4-10-21(20)22/h3-5,8-11,14,17-18H,2,6-7,12-13,15-16H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeySAJBVTJJGWKVQO-SFHVURJKSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
CID 96563164
2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95216925
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
N-[[1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dimethylbenzamide
CID 56753509

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 42216008) is N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is CCn1cc(CN2CCC[C@@H](CNC(=O)c3cccc4ccccc34)C2)cn1.
What is the InChIKey of N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is SAJBVTJJGWKVQO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-27-17-19(14-25-27)16-26-12-6-7-18(15-26)13-24-23(28)22-11-5-9-20-8-3-4-10-21(20)22/h3-5,8-11,14,17-18H,2,6-7,12-13,15-16H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42216008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).