N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 119892146

IUPACN-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(N2CCCCCC2)c1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-15-11-16(18-12-15)17(22)19-13-6-5-7-14(10-13)20-8-3-1-2-4-9-20;;/h5-7,10,15-16,18,21H,1-4,8-9,11-12H2,(H,19,22);2*1H
InChIKeyRCXQLAWMKAJGOD-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.57
Rot. Bonds3

About N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119892146) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119892146
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(N2CCCCCC2)c1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-15-11-16(18-12-15)17(22)19-13-6-5-7-14(10-13)20-8-3-1-2-4-9-20;;/h5-7,10,15-16,18,21H,1-4,8-9,11-12H2,(H,19,22);2*1H
InChIKeyRCXQLAWMKAJGOD-UHFFFAOYSA-N
XLogP2.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
4-acetyl-N-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 167881640
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119840261
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119892146) is N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(N2CCCCCC2)c1)C1CC(O)CN1.
What is the InChIKey of N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is RCXQLAWMKAJGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c21-15-11-16(18-12-15)17(22)19-13-6-5-7-14(10-13)20-8-3-1-2-4-9-20;;/h5-7,10,15-16,18,21H,1-4,8-9,11-12H2,(H,19,22);2*1H.
What are the key properties of N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119892146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).