N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide

C22H35N3O — CID 119884980

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(C)CC1CCN(Cc2ccccc2)C1)C1CCNCC1
InChIInChI=1S/C22H35N3O/c1-18(21-8-11-23-12-9-21)14-22(26)24(2)15-20-10-13-25(17-20)16-19-6-4-3-5-7-19/h3-7,18,20-21,23H,8-17H2,1-2H3
InChIKeyYMAXWXZVNYBWGI-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.99
Rot. Bonds7

About N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide (PubChem CID 119884980) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
PubChem CID119884980
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(C)CC1CCN(Cc2ccccc2)C1)C1CCNCC1
InChIInChI=1S/C22H35N3O/c1-18(21-8-11-23-12-9-21)14-22(26)24(2)15-20-10-13-25(17-20)16-19-6-4-3-5-7-19/h3-7,18,20-21,23H,8-17H2,1-2H3
InChIKeyYMAXWXZVNYBWGI-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide (CID 119884980) is N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide is CC(CC(=O)N(C)CC1CCN(Cc2ccccc2)C1)C1CCNCC1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide?
The InChIKey is YMAXWXZVNYBWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18(21-8-11-23-12-9-21)14-22(26)24(2)15-20-10-13-25(17-20)16-19-6-4-3-5-7-19/h3-7,18,20-21,23H,8-17H2,1-2H3.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide has a molecular weight of 357.54 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119884980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).