N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C15H29N3O — CID 106980499

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCC2CCN(C)CC2)CCNC1
InChIInChI=1S/C15H29N3O/c1-12(2)15(6-7-16-11-15)14(19)17-10-13-4-8-18(3)9-5-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyULRNPNMUHVJPKD-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.08
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980499) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980499
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCC2CCN(C)CC2)CCNC1
InChIInChI=1S/C15H29N3O/c1-12(2)15(6-7-16-11-15)14(19)17-10-13-4-8-18(3)9-5-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyULRNPNMUHVJPKD-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980499) is N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCC2CCN(C)CC2)CCNC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ULRNPNMUHVJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)15(6-7-16-11-15)14(19)17-10-13-4-8-18(3)9-5-13/h12-13,16H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).