1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide

C21H31N3O3 — CID 51162652

IUPAC1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H31N3O3/c25-20(16-8-12-24(13-9-16)21(26)17-6-7-17)22-15-18(19-5-4-14-27-19)23-10-2-1-3-11-23/h4-5,14,16-18H,1-3,6-13,15H2,(H,22,25)
InChIKeyDYGLFCYJEYGEDP-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.57
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide (PubChem CID 51162652) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
PubChem CID51162652
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H31N3O3/c25-20(16-8-12-24(13-9-16)21(26)17-6-7-17)22-15-18(19-5-4-14-27-19)23-10-2-1-3-11-23/h4-5,14,16-18H,1-3,6-13,15H2,(H,22,25)
InChIKeyDYGLFCYJEYGEDP-UHFFFAOYSA-N
XLogP2.57
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41023335
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165357
(3R)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165356
(3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933493
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94152825
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide (CID 51162652) is 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide?
The InChIKey is DYGLFCYJEYGEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(16-8-12-24(13-9-16)21(26)17-6-7-17)22-15-18(19-5-4-14-27-19)23-10-2-1-3-11-23/h4-5,14,16-18H,1-3,6-13,15H2,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 51162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).