4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide

C16H19N7O — CID 136563655

IUPAC4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
SMILESCn1nnc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C16H19N7O/c1-22-20-15(19-21-22)18-16(24)23-8-6-11(7-9-23)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,17H,6-9H2,1H3,(H,18,20,24)
InChIKeyWPFOHSOECUATGD-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.10
Rot. Bonds2

About 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide

4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide (PubChem CID 136563655) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
PubChem CID136563655
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
SMILESCn1nnc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C16H19N7O/c1-22-20-15(19-21-22)18-16(24)23-8-6-11(7-9-23)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,17H,6-9H2,1H3,(H,18,20,24)
InChIKeyWPFOHSOECUATGD-UHFFFAOYSA-N
XLogP2.10
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-indol-2-yl)-N-(2-propan-2-yloxy-4-pyridinyl)piperidine-1-carboxamide
CID 167956930
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 167904960
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
N-cyclopropyl-2-[4-(1H-indol-2-yl)piperidin-1-yl]propanamide
CID 51097283
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide (CID 136563655) is 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide is Cn1nnc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1.
What is the InChIKey of 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is WPFOHSOECUATGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-22-20-15(19-21-22)18-16(24)23-8-6-11(7-9-23)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,17H,6-9H2,1H3,(H,18,20,24).
What are the key properties of 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide?
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136563655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).