N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide

C18H24N4O3 — CID 46965093

IUPACN-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2(O)CCN(CCNC(=O)c3ccn[nH]3)CC2)c1
InChIInChI=1S/C18H24N4O3/c1-25-15-4-2-3-14(13-15)18(24)6-10-22(11-7-18)12-9-19-17(23)16-5-8-20-21-16/h2-5,8,13,24H,6-7,9-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyUDTZHMBVKSZART-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.13
Rot. Bonds6

About N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 46965093) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID46965093
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2(O)CCN(CCNC(=O)c3ccn[nH]3)CC2)c1
InChIInChI=1S/C18H24N4O3/c1-25-15-4-2-3-14(13-15)18(24)6-10-22(11-7-18)12-9-19-17(23)16-5-8-20-21-16/h2-5,8,13,24H,6-7,9-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyUDTZHMBVKSZART-UHFFFAOYSA-N
XLogP1.13
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205678
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16673348
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
CID 16672673
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 10251351

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 46965093) is N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide is COc1cccc(C2(O)CCN(CCNC(=O)c3ccn[nH]3)CC2)c1.
What is the InChIKey of N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UDTZHMBVKSZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-25-15-4-2-3-14(13-15)18(24)6-10-22(11-7-18)12-9-19-17(23)16-5-8-20-21-16/h2-5,8,13,24H,6-7,9-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46965093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).