N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide

C19H29N3O — CID 120897745

IUPACN-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCC1(CN2CCC(C(=O)NCc3ccccc3)CC2)CCNC1
InChIInChI=1S/C19H29N3O/c1-19(9-10-20-14-19)15-22-11-7-17(8-12-22)18(23)21-13-16-5-3-2-4-6-16/h2-6,17,20H,7-15H2,1H3,(H,21,23)
InChIKeySYQVNNYTSJSCHC-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.01
Rot. Bonds5

About N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide

N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 120897745) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
PubChem CID120897745
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCC1(CN2CCC(C(=O)NCc3ccccc3)CC2)CCNC1
InChIInChI=1S/C19H29N3O/c1-19(9-10-20-14-19)15-22-11-7-17(8-12-22)18(23)21-13-16-5-3-2-4-6-16/h2-6,17,20H,7-15H2,1H3,(H,21,23)
InChIKeySYQVNNYTSJSCHC-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide (CID 120897745) is N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide is CC1(CN2CCC(C(=O)NCc3ccccc3)CC2)CCNC1.
What is the InChIKey of N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is SYQVNNYTSJSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(9-10-20-14-19)15-22-11-7-17(8-12-22)18(23)21-13-16-5-3-2-4-6-16/h2-6,17,20H,7-15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120897745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).