N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C20H31N3O3 — CID 18161471

IUPACN-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c24-19(15-22-20(25)16-8-3-1-4-9-16)21-14-17(18-10-7-13-26-18)23-11-5-2-6-12-23/h7,10,13,16-17H,1-6,8-9,11-12,14-15H2,(H,21,24)(H,22,25)
InChIKeyWZOWTWSGFKYZRS-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.62
Rot. Bonds7

About N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18161471) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18161471
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c24-19(15-22-20(25)16-8-3-1-4-9-16)21-14-17(18-10-7-13-26-18)23-11-5-2-6-12-23/h7,10,13,16-17H,1-6,8-9,11-12,14-15H2,(H,21,24)(H,22,25)
InChIKeyWZOWTWSGFKYZRS-UHFFFAOYSA-N
XLogP2.62
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
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
3-cyclopentylsulfonyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 51953240
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186
3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 55648424
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 18161471) is N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is WZOWTWSGFKYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c24-19(15-22-20(25)16-8-3-1-4-9-16)21-14-17(18-10-7-13-26-18)23-11-5-2-6-12-23/h7,10,13,16-17H,1-6,8-9,11-12,14-15H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18161471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).