N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide

C19H26N4O2 — CID 58933661

IUPACN-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(O)Cc2ccccc2)CC1)c1cn[nH]c1
InChIInChI=1S/C19H26N4O2/c24-18(10-15-4-2-1-3-5-15)14-23-8-6-16(7-9-23)11-20-19(25)17-12-21-22-13-17/h1-5,12-13,16,18,24H,6-11,14H2,(H,20,25)(H,21,22)
InChIKeyDCXMVFKRWHPMJI-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.46
Rot. Bonds7

About N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 58933661) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID58933661
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(O)Cc2ccccc2)CC1)c1cn[nH]c1
InChIInChI=1S/C19H26N4O2/c24-18(10-15-4-2-1-3-5-15)14-23-8-6-16(7-9-23)11-20-19(25)17-12-21-22-13-17/h1-5,12-13,16,18,24H,6-11,14H2,(H,20,25)(H,21,22)
InChIKeyDCXMVFKRWHPMJI-UHFFFAOYSA-N
XLogP1.46
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58933801
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 136526016
1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 119046468
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
CID 131929470
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110884353
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 11278969
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide (CID 58933661) is N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CCN(CC(O)Cc2ccccc2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DCXMVFKRWHPMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(10-15-4-2-1-3-5-15)14-23-8-6-16(7-9-23)11-20-19(25)17-12-21-22-13-17/h1-5,12-13,16,18,24H,6-11,14H2,(H,20,25)(H,21,22).
What are the key properties of N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 58933661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).