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

C16H25N3O2 — CID 53150981

IUPACN-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-8-18-16(20)19-11-5-14(6-12-19)7-13-21-15-3-9-17-10-4-15/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H,18,20)
InChIKeyKCLMZSSPDMZEMU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds6

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

N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide (PubChem CID 53150981) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
PubChem CID53150981
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-8-18-16(20)19-11-5-14(6-12-19)7-13-21-15-3-9-17-10-4-15/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H,18,20)
InChIKeyKCLMZSSPDMZEMU-UHFFFAOYSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide (CID 53150981) is N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide is CCCNC(=O)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is KCLMZSSPDMZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-8-18-16(20)19-11-5-14(6-12-19)7-13-21-15-3-9-17-10-4-15/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H,18,20).
What are the key properties of N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53150981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).