N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

C16H29N3O — CID 91921271

IUPACN-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCN(C(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C16H29N3O/c1-18-9-6-13(7-10-18)14-8-11-19(12-14)16(20)17-15-4-2-3-5-15/h13-15H,2-12H2,1H3,(H,17,20)
InChIKeyDHMKMFXZPHDDMI-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.30
Rot. Bonds2

About N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 91921271) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID91921271
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCN(C(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C16H29N3O/c1-18-9-6-13(7-10-18)14-8-11-19(12-14)16(20)17-15-4-2-3-5-15/h13-15H,2-12H2,1H3,(H,17,20)
InChIKeyDHMKMFXZPHDDMI-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 91921271) is N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is CN1CCC(C2CCN(C(=O)NC3CCCC3)C2)CC1.
What is the InChIKey of N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is DHMKMFXZPHDDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18-9-6-13(7-10-18)14-8-11-19(12-14)16(20)17-15-4-2-3-5-15/h13-15H,2-12H2,1H3,(H,17,20).
What are the key properties of N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91921271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).