N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

C21H29N3O2 — CID 99955335

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NC1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(13-16-6-5-15-3-1-2-4-19(15)16)22-18-9-11-24(12-10-18)14-21(26)23-17-7-8-17/h1-4,16-18H,5-14H2,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyMERSZEDNMGIWIJ-MRXNPFEDSA-N
MW355.48 g/mol
LogP1.97
Rot. Bonds6

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 99955335) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID99955335
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NC1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(13-16-6-5-15-3-1-2-4-19(15)16)22-18-9-11-24(12-10-18)14-21(26)23-17-7-8-17/h1-4,16-18H,5-14H2,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyMERSZEDNMGIWIJ-MRXNPFEDSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
(1R)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99949518
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 74238551
N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 170899391
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95769926
formic acid;methyl 2-[[4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclohexanecarbonyl]amino]acetate
CID 171339015
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-(2,3-dihydro-1H-inden-1-yl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955821
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
CID 63947796

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 99955335) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(C[C@H]1CCc2ccccc21)NC1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is MERSZEDNMGIWIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(13-16-6-5-15-3-1-2-4-19(15)16)22-18-9-11-24(12-10-18)14-21(26)23-17-7-8-17/h1-4,16-18H,5-14H2,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 99955335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).