2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide

C22H29N3O — CID 141087632

IUPAC2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
SMILESCNC(=O)C(Cc1ccc2ccccc2c1)N1CCNC(CC2CC2)C1
InChIInChI=1S/C22H29N3O/c1-23-22(26)21(25-11-10-24-20(15-25)13-16-6-7-16)14-17-8-9-18-4-2-3-5-19(18)12-17/h2-5,8-9,12,16,20-21,24H,6-7,10-11,13-15H2,1H3,(H,23,26)
InChIKeyHBYVENDJGXZUBT-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.57
Rot. Bonds6

About 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide

2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide (PubChem CID 141087632) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
PubChem CID141087632
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
SMILESCNC(=O)C(Cc1ccc2ccccc2c1)N1CCNC(CC2CC2)C1
InChIInChI=1S/C22H29N3O/c1-23-22(26)21(25-11-10-24-20(15-25)13-16-6-7-16)14-17-8-9-18-4-2-3-5-19(18)12-17/h2-5,8-9,12,16,20-21,24H,6-7,10-11,13-15H2,1H3,(H,23,26)
InChIKeyHBYVENDJGXZUBT-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3S)-4-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 58737071
N-[3-(4-fluorophenyl)-1-[4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-propylpiperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 91256276
methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
CID 25132165
(2R)-N-methyl-2-[methyl-[(2S)-2-[methyl-(2-piperidin-2-ylacetyl)amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 101037471
methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
CID 25132166
N-[1-[2-ethyl-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 91575712
methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate
CID 134591477
N-methyl-2-[methyl-[2-[methyl-[2-(piperidin-2-ylmethoxy)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22327165
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propylpiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 11756364
(2R)-2-amino-N-[[(3S,5R)-3-[3-(diaminomethylideneamino)propyl]-1-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-oxo-1,4-diazepan-5-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 46897441
[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium
CID 23548784

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide (CID 141087632) is 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide is CNC(=O)C(Cc1ccc2ccccc2c1)N1CCNC(CC2CC2)C1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide?
The InChIKey is HBYVENDJGXZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-23-22(26)21(25-11-10-24-20(15-25)13-16-6-7-16)14-17-8-9-18-4-2-3-5-19(18)12-17/h2-5,8-9,12,16,20-21,24H,6-7,10-11,13-15H2,1H3,(H,23,26).
What are the key properties of 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide?
2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 141087632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).