N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide

C23H37N3O2 — CID 45205927

IUPACN-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)CCN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)o1
InChIInChI=1S/C23H37N3O2/c1-17(22-6-3-18(2)28-22)7-12-25-13-10-21(11-14-25)26-15-8-19(9-16-26)23(27)24-20-4-5-20/h3,6,17,19-21H,4-5,7-16H2,1-2H3,(H,24,27)
InChIKeyATCBFPXMNGCMIQ-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.54
Rot. Bonds7

About N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 45205927) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID45205927
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)CCN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)o1
InChIInChI=1S/C23H37N3O2/c1-17(22-6-3-18(2)28-22)7-12-25-13-10-21(11-14-25)26-15-8-19(9-16-26)23(27)24-20-4-5-20/h3,6,17,19-21H,4-5,7-16H2,1-2H3,(H,24,27)
InChIKeyATCBFPXMNGCMIQ-UHFFFAOYSA-N
XLogP3.54
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide (CID 45205927) is N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide is Cc1ccc(C(C)CCN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)o1.
What is the InChIKey of N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ATCBFPXMNGCMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-17(22-6-3-18(2)28-22)7-12-25-13-10-21(11-14-25)26-15-8-19(9-16-26)23(27)24-20-4-5-20/h3,6,17,19-21H,4-5,7-16H2,1-2H3,(H,24,27).
What are the key properties of N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 45205927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).