1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride

C17H22ClN5O — CID 135186072

IUPAC1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NCc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)ncn1
InChIInChI=1S/C17H21N5O.ClH/c18-11-15-10-16(20-12-19-15)22-8-6-13(7-9-22)17(23)21-14-4-2-1-3-5-14;/h1-5,10,12-13H,6-9,11,18H2,(H,21,23);1H
InChIKeyUNRPPXHXMCANLZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.21
Rot. Bonds4

About 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride

1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride (PubChem CID 135186072) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
PubChem CID135186072
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NCc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)ncn1
InChIInChI=1S/C17H21N5O.ClH/c18-11-15-10-16(20-12-19-15)22-8-6-13(7-9-22)17(23)21-14-4-2-1-3-5-14;/h1-5,10,12-13H,6-9,11,18H2,(H,21,23);1H
InChIKeyUNRPPXHXMCANLZ-UHFFFAOYSA-N
XLogP2.21
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Azanylpyrimidin-4-Yl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide
CID 102515537
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 655169
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716420
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 3224241
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772
N-phenyl-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 736391
1-(6-Methyl-2-phenyl-pyrimidin-4-yl)-piperidine-4-carboxylic acid amide
CID 1448091
N-(3-methylphenyl)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 6466372
N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 14722185

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride (CID 135186072) is 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride is Cl.NCc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)ncn1.
What is the InChIKey of 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UNRPPXHXMCANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.ClH/c18-11-15-10-16(20-12-19-15)22-8-6-13(7-9-22)17(23)21-14-4-2-1-3-5-14;/h1-5,10,12-13H,6-9,11,18H2,(H,21,23);1H.
What are the key properties of 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 135186072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).