N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide

C23H32N4O — CID 163935748

IUPACN-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide
SMILESCCNC(=O)N1CCC2=CCCC=C2C12CCN(CCc1ccncc1)CC2
InChIInChI=1S/C23H32N4O/c1-2-25-22(28)27-16-10-20-5-3-4-6-21(20)23(27)11-17-26(18-12-23)15-9-19-7-13-24-14-8-19/h5-8,13-14H,2-4,9-12,15-18H2,1H3,(H,25,28)
InChIKeyRMQUOENDPZVRPN-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide

N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide (PubChem CID 163935748) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide
PubChem CID163935748
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide
SMILESCCNC(=O)N1CCC2=CCCC=C2C12CCN(CCc1ccncc1)CC2
InChIInChI=1S/C23H32N4O/c1-2-25-22(28)27-16-10-20-5-3-4-6-21(20)23(27)11-17-26(18-12-23)15-9-19-7-13-24-14-8-19/h5-8,13-14H,2-4,9-12,15-18H2,1H3,(H,25,28)
InChIKeyRMQUOENDPZVRPN-UHFFFAOYSA-N
XLogP3.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide with MolForge

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Related Compounds

methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 161215347
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121350884
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
1-methyl-3-(2-phenylethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234591
3,3-diethyl-1-(2-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64964114
N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
CID 121350945
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359940
4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]pyridine-2-carbonitrile
CID 121359805
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide?
The IUPAC name of N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide (CID 163935748) is N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide is CCNC(=O)N1CCC2=CCCC=C2C12CCN(CCc1ccncc1)CC2.
What is the InChIKey of N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide?
The InChIKey is RMQUOENDPZVRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-2-25-22(28)27-16-10-20-5-3-4-6-21(20)23(27)11-17-26(18-12-23)15-9-19-7-13-24-14-8-19/h5-8,13-14H,2-4,9-12,15-18H2,1H3,(H,25,28).
What are the key properties of N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide?
N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 163935748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).