(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide

C22H32ClN5O3 — CID 11374336

IUPAC(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCN1CCC(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H32ClN5O3/c1-25-8-6-18(7-9-25)26-10-12-27(13-11-26)21(30)20-14-19(29)15-28(20)22(31)24-17-4-2-16(23)3-5-17/h2-5,18-20,29H,6-15H2,1H3,(H,24,31)/t19-,20-/m1/s1
InChIKeyUHQQYIFFFYVULG-WOJBJXKFSA-N
MW449.98 g/mol
LogP1.55
Rot. Bonds3

About (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide

(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 11374336) has the molecular formula C22H32ClN5O3 and a molecular weight of 449.98 g/mol. Its IUPAC name is (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
PubChem CID11374336
Molecular FormulaC22H32ClN5O3
Molecular Weight449.98 g/mol
Exact Mass449.22
IUPAC Name(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCN1CCC(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H32ClN5O3/c1-25-8-6-18(7-9-25)26-10-12-27(13-11-26)21(30)20-14-19(29)15-28(20)22(31)24-17-4-2-16(23)3-5-17/h2-5,18-20,29H,6-15H2,1H3,(H,24,31)/t19-,20-/m1/s1
InChIKeyUHQQYIFFFYVULG-WOJBJXKFSA-N
XLogP1.55
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2R,4R)-N-(4-chlorophenyl)-2-[4-(4,6-dimethyl-2H-pyrimidin-1-yl)piperazine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxamide
CID 142688240
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide
CID 11374259
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-(4-chlorophenyl)-4-(1-methylpiperidine-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138809661
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026021
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
(2R,4R)-2-N-[4-[[2-[butyl(methyl)amino]acetyl]-methylamino]phenyl]-1-N-(4-chlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11409733

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide (CID 11374336) is (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide is CN1CCC(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The InChIKey is UHQQYIFFFYVULG-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H32ClN5O3/c1-25-8-6-18(7-9-25)26-10-12-27(13-11-26)21(30)20-14-19(29)15-28(20)22(31)24-17-4-2-16(23)3-5-17/h2-5,18-20,29H,6-15H2,1H3,(H,24,31)/t19-,20-/m1/s1.
What are the key properties of (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 11374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).