4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C16H22ClN3O3 — CID 119702405

IUPAC4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1CC(O)CN1
InChIInChI=1S/C16H21N3O3.ClH/c20-13-9-14(17-10-13)15(21)18-12-5-3-11(4-6-12)16(22)19-7-1-2-8-19;/h3-6,13-14,17,20H,1-2,7-10H2,(H,18,21);1H
InChIKeyMEOJACWIRWWXGR-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.01
Rot. Bonds3

About 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119702405) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119702405
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1CC(O)CN1
InChIInChI=1S/C16H21N3O3.ClH/c20-13-9-14(17-10-13)15(21)18-12-5-3-11(4-6-12)16(22)19-7-1-2-8-19;/h3-6,13-14,17,20H,1-2,7-10H2,(H,18,21);1H
InChIKeyMEOJACWIRWWXGR-UHFFFAOYSA-N
XLogP1.01
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119747793
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119698538
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119840261
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119418264
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119702405) is 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MEOJACWIRWWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c20-13-9-14(17-10-13)15(21)18-12-5-3-11(4-6-12)16(22)19-7-1-2-8-19;/h3-6,13-14,17,20H,1-2,7-10H2,(H,18,21);1H.
What are the key properties of 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).