1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide

C19H24Cl2N4O3 — CID 59764780

IUPAC1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C19H24Cl2N4O3/c20-15-2-1-13(9-16(15)21)19(28)23-10-17(26)25-8-5-14(11-25)24-6-3-12(4-7-24)18(22)27/h1-2,9,12,14H,3-8,10-11H2,(H2,22,27)(H,23,28)
InChIKeyCSZMOZVNVQOWKN-UHFFFAOYSA-N
MW427.33 g/mol
LogP1.52
Rot. Bonds5

About 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide

1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 59764780) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID59764780
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C19H24Cl2N4O3/c20-15-2-1-13(9-16(15)21)19(28)23-10-17(26)25-8-5-14(11-25)24-6-3-12(4-7-24)18(22)27/h1-2,9,12,14H,3-8,10-11H2,(H2,22,27)(H,23,28)
InChIKeyCSZMOZVNVQOWKN-UHFFFAOYSA-N
XLogP1.52
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764910
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 143675119
3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764905
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119484282
3,4-dichloro-N-[2-[3-[3-(5-fluorocyclohexa-1,3-dien-1-yl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 71098871
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 119467092

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide (CID 59764780) is 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1.
What is the InChIKey of 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is CSZMOZVNVQOWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3/c20-15-2-1-13(9-16(15)21)19(28)23-10-17(26)25-8-5-14(11-25)24-6-3-12(4-7-24)18(22)27/h1-2,9,12,14H,3-8,10-11H2,(H2,22,27)(H,23,28).
What are the key properties of 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 59764780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).