N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H26ClN5O2 — CID 119759570

IUPACN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(c1cn(C2CCNCC2)nn1)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C19H25N5O2.ClH/c25-17-3-1-2-15(10-17)12-23(11-14-4-5-14)19(26)18-13-24(22-21-18)16-6-8-20-9-7-16;/h1-3,10,13-14,16,20,25H,4-9,11-12H2;1H
InChIKeyGXFIFOSZEUKLKO-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.38
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119759570) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119759570
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC NameN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(c1cn(C2CCNCC2)nn1)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C19H25N5O2.ClH/c25-17-3-1-2-15(10-17)12-23(11-14-4-5-14)19(26)18-13-24(22-21-18)16-6-8-20-9-7-16;/h1-3,10,13-14,16,20,25H,4-9,11-12H2;1H
InChIKeyGXFIFOSZEUKLKO-UHFFFAOYSA-N
XLogP2.38
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-1-[(1R,2R)-2-hydroxycyclobutyl]-N-[(3-hydroxyphenyl)methyl]triazole-4-carboxamide
CID 166253189
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CID 63954765
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119759142
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
CID 119752331
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119767436
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71875848
1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119759570) is N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(c1cn(C2CCNCC2)nn1)N(Cc1cccc(O)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is GXFIFOSZEUKLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c25-17-3-1-2-15(10-17)12-23(11-14-4-5-14)19(26)18-13-24(22-21-18)16-6-8-20-9-7-16;/h1-3,10,13-14,16,20,25H,4-9,11-12H2;1H.
What are the key properties of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119759570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).