4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide

C19H28N4O2 — CID 95933818

IUPAC4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c20-19(25)16-4-6-17(7-5-16)21-12-18(24)23-11-8-15(14-23)13-22-9-2-1-3-10-22/h4-7,15,21H,1-3,8-14H2,(H2,20,25)/t15-/m1/s1
InChIKeyTVYONDVWXZQRTB-OAHLLOKOSA-N
MW344.46 g/mol
LogP1.53
Rot. Bonds6

About 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide

4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide (PubChem CID 95933818) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide
PubChem CID95933818
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c20-19(25)16-4-6-17(7-5-16)21-12-18(24)23-11-8-15(14-23)13-22-9-2-1-3-10-22/h4-7,15,21H,1-3,8-14H2,(H2,20,25)/t15-/m1/s1
InChIKeyTVYONDVWXZQRTB-OAHLLOKOSA-N
XLogP1.53
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
CID 71866711
2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
CID 119811969
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95711699
4-(cyclobutylmethylamino)benzamide
CID 65459398

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide?
The IUPAC name of 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide (CID 95933818) is 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide?
The canonical SMILES for 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide is NC(=O)c1ccc(NCC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1.
What is the InChIKey of 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide?
The InChIKey is TVYONDVWXZQRTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-19(25)16-4-6-17(7-5-16)21-12-18(24)23-11-8-15(14-23)13-22-9-2-1-3-10-22/h4-7,15,21H,1-3,8-14H2,(H2,20,25)/t15-/m1/s1.
What are the key properties of 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide?
4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide is sourced from PubChem (CID 95933818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).