(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide

C23H35N7O — CID 95348571

IUPAC(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H35N7O/c1-18(2)24-23(31)29-14-8-4-7-11-21(29)19-12-15-28(16-13-19)17-22-25-26-27-30(22)20-9-5-3-6-10-20/h3,5-6,9-10,18-19,21H,4,7-8,11-17H2,1-2H3,(H,24,31)/t21-/m1/s1
InChIKeyLTNGPFZDWBFDMA-OAQYLSRUSA-N
MW425.58 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide

(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide (PubChem CID 95348571) has the molecular formula C23H35N7O and a molecular weight of 425.58 g/mol. Its IUPAC name is (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
PubChem CID95348571
Molecular FormulaC23H35N7O
Molecular Weight425.58 g/mol
Exact Mass425.29
IUPAC Name(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H35N7O/c1-18(2)24-23(31)29-14-8-4-7-11-21(29)19-12-15-28(16-13-19)17-22-25-26-27-30(22)20-9-5-3-6-10-20/h3,5-6,9-10,18-19,21H,4,7-8,11-17H2,1-2H3,(H,24,31)/t21-/m1/s1
InChIKeyLTNGPFZDWBFDMA-OAQYLSRUSA-N
XLogP3.24
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide with MolForge

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Related Compounds

phenyl-[(2S)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95332947
2-methoxy-1-[2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 56804516
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
2-ethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 30936083
cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 56804519
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
N-cyclohexyl-4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340665

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide?
The IUPAC name of (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide (CID 95348571) is (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide is CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide?
The InChIKey is LTNGPFZDWBFDMA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35N7O/c1-18(2)24-23(31)29-14-8-4-7-11-21(29)19-12-15-28(16-13-19)17-22-25-26-27-30(22)20-9-5-3-6-10-20/h3,5-6,9-10,18-19,21H,4,7-8,11-17H2,1-2H3,(H,24,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide?
(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide is sourced from PubChem (CID 95348571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).