N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide

C21H21N3O2S — CID 26320170

IUPACN-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cncs2)C1)c1cccc2ccccc12
InChIInChI=1S/C21H21N3O2S/c25-20(18-9-3-7-16-6-1-2-8-17(16)18)23-11-15-5-4-10-24(13-15)21(26)19-12-22-14-27-19/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,23,25)/t15-/m1/s1
InChIKeyZBBLITKFVFUWIF-OAHLLOKOSA-N
MW379.48 g/mol
LogP3.58
Rot. Bonds4

About N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 26320170) has the molecular formula C21H21N3O2S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID26320170
Molecular FormulaC21H21N3O2S
Molecular Weight379.48 g/mol
Exact Mass379.14
IUPAC NameN-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cncs2)C1)c1cccc2ccccc12
InChIInChI=1S/C21H21N3O2S/c25-20(18-9-3-7-16-6-1-2-8-17(16)18)23-11-15-5-4-10-24(13-15)21(26)19-12-22-14-27-19/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,23,25)/t15-/m1/s1
InChIKeyZBBLITKFVFUWIF-OAHLLOKOSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
N-[[1-[2-(1,3-benzoxazol-2-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 131937985
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
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-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 97271529

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 26320170) is N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide is O=C(NC[C@H]1CCCN(C(=O)c2cncs2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is ZBBLITKFVFUWIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(18-9-3-7-16-6-1-2-8-17(16)18)23-11-15-5-4-10-24(13-15)21(26)19-12-22-14-27-19/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 26320170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).