4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide

C16H22N4O2 — CID 68721294

IUPAC4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1
InChIInChI=1S/C16H22N4O2/c17-15(21)12-3-5-13(6-4-12)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h3-6,14,18H,1-2,7-11H2,(H2,17,21)/t14-/m0/s1
InChIKeyVDMNKKBQQQGMCJ-AWEZNQCLSA-N
MW302.38 g/mol
LogP0.19
Rot. Bonds3

About 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide

4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide (PubChem CID 68721294) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
PubChem CID68721294
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1
InChIInChI=1S/C16H22N4O2/c17-15(21)12-3-5-13(6-4-12)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h3-6,14,18H,1-2,7-11H2,(H2,17,21)/t14-/m0/s1
InChIKeyVDMNKKBQQQGMCJ-AWEZNQCLSA-N
XLogP0.19
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 136580851
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
CID 98762392

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide (CID 68721294) is 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1.
What is the InChIKey of 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
The InChIKey is VDMNKKBQQQGMCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-15(21)12-3-5-13(6-4-12)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h3-6,14,18H,1-2,7-11H2,(H2,17,21)/t14-/m0/s1.
What are the key properties of 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide has a molecular weight of 302.38 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 68721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).