N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide

C22H35N3O2 — CID 42700171

IUPACN-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)C(C)C
InChIInChI=1S/C22H35N3O2/c1-4-13-25(22(27)18(2)3)16-12-21(26)23-20-10-14-24(15-11-20)17-19-8-6-5-7-9-19/h5-9,18,20H,4,10-17H2,1-3H3,(H,23,26)
InChIKeyIXZHUPDPCTZJMG-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.05
Rot. Bonds9

About N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide

N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide (PubChem CID 42700171) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
PubChem CID42700171
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)C(C)C
InChIInChI=1S/C22H35N3O2/c1-4-13-25(22(27)18(2)3)16-12-21(26)23-20-10-14-24(15-11-20)17-19-8-6-5-7-9-19/h5-9,18,20H,4,10-17H2,1-3H3,(H,23,26)
InChIKeyIXZHUPDPCTZJMG-UHFFFAOYSA-N
XLogP3.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
CID 42700182
N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 42878689
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 111431834
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
CID 87003316
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide?
The IUPAC name of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide (CID 42700171) is N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide is CCCN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)C(C)C.
What is the InChIKey of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide?
The InChIKey is IXZHUPDPCTZJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-4-13-25(22(27)18(2)3)16-12-21(26)23-20-10-14-24(15-11-20)17-19-8-6-5-7-9-19/h5-9,18,20H,4,10-17H2,1-3H3,(H,23,26).
What are the key properties of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide?
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide has a molecular weight of 373.54 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 42700171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).