N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide

C21H33N3O — CID 166236360

IUPACN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(C)(CN1CCCC1)NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H33N3O/c1-21(2,17-24-14-6-7-15-24)22-20(25)19-10-8-18(9-11-19)16-23-12-4-3-5-13-23/h8-11H,3-7,12-17H2,1-2H3,(H,22,25)
InChIKeyDZQQRCQNGXBRRA-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.28
Rot. Bonds6

About N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide

N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 166236360) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID166236360
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(C)(CN1CCCC1)NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H33N3O/c1-21(2,17-24-14-6-7-15-24)22-20(25)19-10-8-18(9-11-19)16-23-12-4-3-5-13-23/h8-11H,3-7,12-17H2,1-2H3,(H,22,25)
InChIKeyDZQQRCQNGXBRRA-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide
CID 56871151
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide (CID 166236360) is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide is CC(C)(CN1CCCC1)NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is DZQQRCQNGXBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-21(2,17-24-14-6-7-15-24)22-20(25)19-10-8-18(9-11-19)16-23-12-4-3-5-13-23/h8-11H,3-7,12-17H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 343.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 166236360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).