N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide

C15H29N3O — CID 90447179

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCCN1CCC(CNC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-3-17-8-6-14(7-9-17)12-16-15(19)18-10-4-13(2)5-11-18/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyIBCQMJBAMALZCI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds3

About N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide

N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 90447179) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID90447179
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCCN1CCC(CNC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-3-17-8-6-14(7-9-17)12-16-15(19)18-10-4-13(2)5-11-18/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyIBCQMJBAMALZCI-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide (CID 90447179) is N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide is CCN1CCC(CNC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is IBCQMJBAMALZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-17-8-6-14(7-9-17)12-16-15(19)18-10-4-13(2)5-11-18/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 90447179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).