N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C21H32N4O — CID 119458299

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC3CC4CCC(C3)N4)CC2)c1
InChIInChI=1S/C21H32N4O/c1-16-3-2-4-20(13-16)25-11-9-24(10-12-25)8-7-21(26)23-19-14-17-5-6-18(15-19)22-17/h2-4,13,17-19,22H,5-12,14-15H2,1H3,(H,23,26)
InChIKeyMPHIRFXRYXKQRF-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.91
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 119458299) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID119458299
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC3CC4CCC(C3)N4)CC2)c1
InChIInChI=1S/C21H32N4O/c1-16-3-2-4-20(13-16)25-11-9-24(10-12-25)8-7-21(26)23-19-14-17-5-6-18(15-19)22-17/h2-4,13,17-19,22H,5-12,14-15H2,1H3,(H,23,26)
InChIKeyMPHIRFXRYXKQRF-UHFFFAOYSA-N
XLogP1.91
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide 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

N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
CID 119513309
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 167934556
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 119458299) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)NC3CC4CCC(C3)N4)CC2)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is MPHIRFXRYXKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16-3-2-4-20(13-16)25-11-9-24(10-12-25)8-7-21(26)23-19-14-17-5-6-18(15-19)22-17/h2-4,13,17-19,22H,5-12,14-15H2,1H3,(H,23,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 356.51 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 119458299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).