N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide

C19H25BrN4O2 — CID 86877003

IUPACN-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Br)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C19H25BrN4O2/c1-14(19(26)22-17-5-3-2-4-16(17)20)23-10-7-15(8-11-23)18-6-9-21-24(18)12-13-25/h2-6,9,14-15,25H,7-8,10-13H2,1H3,(H,22,26)
InChIKeyRDCLWYHRSOOMRB-UHFFFAOYSA-N
MW421.34 g/mol
LogP2.84
Rot. Bonds6

About N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide

N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide (PubChem CID 86877003) has the molecular formula C19H25BrN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
PubChem CID86877003
Molecular FormulaC19H25BrN4O2
Molecular Weight421.34 g/mol
Exact Mass420.12
IUPAC NameN-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Br)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C19H25BrN4O2/c1-14(19(26)22-17-5-3-2-4-16(17)20)23-10-7-15(8-11-23)18-6-9-21-24(18)12-13-25/h2-6,9,14-15,25H,7-8,10-13H2,1H3,(H,22,26)
InChIKeyRDCLWYHRSOOMRB-UHFFFAOYSA-N
XLogP2.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-bromoanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904097
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
CID 86959364
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 136524069
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97256783
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 124880412
N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146867
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide (CID 86877003) is N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide is CC(C(=O)Nc1ccccc1Br)N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide?
The InChIKey is RDCLWYHRSOOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2/c1-14(19(26)22-17-5-3-2-4-16(17)20)23-10-7-15(8-11-23)18-6-9-21-24(18)12-13-25/h2-6,9,14-15,25H,7-8,10-13H2,1H3,(H,22,26).
What are the key properties of N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide?
N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide has a molecular weight of 421.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 86877003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).