N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide

C17H29N3O — CID 45238287

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3=CCCC3)C2)CC1
InChIInChI=1S/C17H29N3O/c1-19-11-8-16(9-12-19)20-10-4-7-15(13-20)18-17(21)14-5-2-3-6-14/h5,15-16H,2-4,6-13H2,1H3,(H,18,21)
InChIKeyKYFBWJBHQPPZPO-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.77
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide (PubChem CID 45238287) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide
PubChem CID45238287
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3=CCCC3)C2)CC1
InChIInChI=1S/C17H29N3O/c1-19-11-8-16(9-12-19)20-10-4-7-15(13-20)18-17(21)14-5-2-3-6-14/h5,15-16H,2-4,6-13H2,1H3,(H,18,21)
InChIKeyKYFBWJBHQPPZPO-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide (CID 45238287) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide is CN1CCC(N2CCCC(NC(=O)C3=CCCC3)C2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide?
The InChIKey is KYFBWJBHQPPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19-11-8-16(9-12-19)20-10-4-7-15(13-20)18-17(21)14-5-2-3-6-14/h5,15-16H,2-4,6-13H2,1H3,(H,18,21).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 45238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).