N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

C17H26N4O2 — CID 53185145

IUPACN-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NC3CCCC3)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-23-16-7-6-14(12-18-16)13-20-8-10-21(11-9-20)17(22)19-15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,19,22)
InChIKeyLCMOGKDDPSIVFI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.86
Rot. Bonds4

About N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 53185145) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID53185145
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NC3CCCC3)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-23-16-7-6-14(12-18-16)13-20-8-10-21(11-9-20)17(22)19-15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,19,22)
InChIKeyLCMOGKDDPSIVFI-UHFFFAOYSA-N
XLogP1.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (CID 53185145) is N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)NC3CCCC3)CC2)cn1.
What is the InChIKey of N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is LCMOGKDDPSIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-16-7-6-14(12-18-16)13-20-8-10-21(11-9-20)17(22)19-15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53185145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).