N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide

C21H30N2O — CID 119742625

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C1CC1)C1CCc2ccccc21)C1CCCNC1
InChIInChI=1S/C21H30N2O/c1-15(17-6-4-12-22-14-17)13-21(24)23(18-9-10-18)20-11-8-16-5-2-3-7-19(16)20/h2-3,5,7,15,17-18,20,22H,4,6,8-14H2,1H3
InChIKeyXRPZQPNAJBYYOG-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.69
Rot. Bonds5

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119742625) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
PubChem CID119742625
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C1CC1)C1CCc2ccccc21)C1CCCNC1
InChIInChI=1S/C21H30N2O/c1-15(17-6-4-12-22-14-17)13-21(24)23(18-9-10-18)20-11-8-16-5-2-3-7-19(16)20/h2-3,5,7,15,17-18,20,22H,4,6,8-14H2,1H3
InChIKeyXRPZQPNAJBYYOG-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide with MolForge

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Related Compounds

N-cyclopropyl-3-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 119728180
N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxybutanamide;hydrochloride
CID 120589829
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
CID 81048851

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide (CID 119742625) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C1CC1)C1CCc2ccccc21)C1CCCNC1.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is XRPZQPNAJBYYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-15(17-6-4-12-22-14-17)13-21(24)23(18-9-10-18)20-11-8-16-5-2-3-7-19(16)20/h2-3,5,7,15,17-18,20,22H,4,6,8-14H2,1H3.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 326.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119742625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).