N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride

C16H24ClN7O — CID 119917289

IUPACN-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C16H23N7O.ClH/c17-8-9-18-16(24)13-5-4-10-22(11-13)12-15-19-20-21-23(15)14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,17H2,(H,18,24);1H
InChIKeyRYUBNGJNMTYOMU-UHFFFAOYSA-N
MW365.87 g/mol
LogP0.37
Rot. Bonds6

About N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119917289) has the molecular formula C16H24ClN7O and a molecular weight of 365.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119917289
Molecular FormulaC16H24ClN7O
Molecular Weight365.87 g/mol
Exact Mass365.17
IUPAC NameN-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C16H23N7O.ClH/c17-8-9-18-16(24)13-5-4-10-22(11-13)12-15-19-20-21-23(15)14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,17H2,(H,18,24);1H
InChIKeyRYUBNGJNMTYOMU-UHFFFAOYSA-N
XLogP0.37
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 63252804
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 97126070
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119917289) is N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(Cc2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is RYUBNGJNMTYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O.ClH/c17-8-9-18-16(24)13-5-4-10-22(11-13)12-15-19-20-21-23(15)14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,17H2,(H,18,24);1H.
What are the key properties of N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119917289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).