N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide

C17H27N3O2 — CID 53150984

IUPACN-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C17H27N3O2/c1-14(2)13-19-17(21)20-10-5-15(6-11-20)7-12-22-16-3-8-18-9-4-16/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,19,21)
InChIKeyNGRCIWMDJCVADY-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.93
Rot. Bonds6

About N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide

N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide (PubChem CID 53150984) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
PubChem CID53150984
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C17H27N3O2/c1-14(2)13-19-17(21)20-10-5-15(6-11-20)7-12-22-16-3-8-18-9-4-16/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,19,21)
InChIKeyNGRCIWMDJCVADY-UHFFFAOYSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide (CID 53150984) is N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is NGRCIWMDJCVADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)13-19-17(21)20-10-5-15(6-11-20)7-12-22-16-3-8-18-9-4-16/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53150984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).