N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide

C22H31N3O4 — CID 95267762

IUPACN-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H](C2OCCO2)C1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H31N3O4/c26-20(15-25-11-5-6-16(14-25)22-28-12-13-29-22)24-19-10-4-3-9-18(19)21(27)23-17-7-1-2-8-17/h3-4,9-10,16-17,22H,1-2,5-8,11-15H2,(H,23,27)(H,24,26)/t16-/m0/s1
InChIKeyIKMIFAVVYFRGMG-INIZCTEOSA-N
MW401.51 g/mol
LogP2.38
Rot. Bonds6

About N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide (PubChem CID 95267762) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide
PubChem CID95267762
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H](C2OCCO2)C1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H31N3O4/c26-20(15-25-11-5-6-16(14-25)22-28-12-13-29-22)24-19-10-4-3-9-18(19)21(27)23-17-7-1-2-8-17/h3-4,9-10,16-17,22H,1-2,5-8,11-15H2,(H,23,27)(H,24,26)/t16-/m0/s1
InChIKeyIKMIFAVVYFRGMG-INIZCTEOSA-N
XLogP2.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 100904411
2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
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N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 11931481

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide (CID 95267762) is N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide is O=C(CN1CCC[C@H](C2OCCO2)C1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide?
The InChIKey is IKMIFAVVYFRGMG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-20(15-25-11-5-6-16(14-25)22-28-12-13-29-22)24-19-10-4-3-9-18(19)21(27)23-17-7-1-2-8-17/h3-4,9-10,16-17,22H,1-2,5-8,11-15H2,(H,23,27)(H,24,26)/t16-/m0/s1.
What are the key properties of N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide has a molecular weight of 401.51 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 95267762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).