3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide

C17H24N4O2 — CID 119908377

IUPAC3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
SMILESNC1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C17H24N4O2/c18-13-6-8-21(9-7-13)11-16(22)19-15-3-1-2-12(10-15)17(23)20-14-4-5-14/h1-3,10,13-14H,4-9,11,18H2,(H,19,22)(H,20,23)
InChIKeySPWVOPFGKROGIW-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.94
Rot. Bonds5

About 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 119908377) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
PubChem CID119908377
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
SMILESNC1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C17H24N4O2/c18-13-6-8-21(9-7-13)11-16(22)19-15-3-1-2-12(10-15)17(23)20-14-4-5-14/h1-3,10,13-14H,4-9,11,18H2,(H,19,22)(H,20,23)
InChIKeySPWVOPFGKROGIW-UHFFFAOYSA-N
XLogP0.94
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24665509
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 26993725

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide (CID 119908377) is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide is NC1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1.
What is the InChIKey of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is SPWVOPFGKROGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-13-6-8-21(9-7-13)11-16(22)19-15-3-1-2-12(10-15)17(23)20-14-4-5-14/h1-3,10,13-14H,4-9,11,18H2,(H,19,22)(H,20,23).
What are the key properties of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 119908377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).