4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 119852977

IUPAC4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(CN2CCCCC2)c1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-15-10-16(18-11-15)17(22)19-14-6-4-5-13(9-14)12-20-7-2-1-3-8-20;;/h4-6,9,15-16,18,21H,1-3,7-8,10-12H2,(H,19,22);2*1H
InChIKeyVIDICDNCNRHDRC-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.18
Rot. Bonds4

About 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119852977) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119852977
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(CN2CCCCC2)c1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-15-10-16(18-11-15)17(22)19-14-6-4-5-13(9-14)12-20-7-2-1-3-8-20;;/h4-6,9,15-16,18,21H,1-3,7-8,10-12H2,(H,19,22);2*1H
InChIKeyVIDICDNCNRHDRC-UHFFFAOYSA-N
XLogP2.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
N-[3-(cyclohexylsulfinylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119789944
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667
4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867415
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
methyl 3-[[3-[(4-hydroxypyrrolidine-2-carbonyl)amino]phenyl]methylsulfanyl]propanoate
CID 119775589
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119852977) is 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(CN2CCCCC2)c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is VIDICDNCNRHDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c21-15-10-16(18-11-15)17(22)19-14-6-4-5-13(9-14)12-20-7-2-1-3-8-20;;/h4-6,9,15-16,18,21H,1-3,7-8,10-12H2,(H,19,22);2*1H.
What are the key properties of 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119852977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).