N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide

C28H44N4O2 — CID 143182217

IUPACN-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OC[C@@H]2CCCN3CCCCC23)cc1)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C28H44N4O2/c33-28(32-19-17-30(18-20-32)21-23-7-2-1-3-8-23)29-25-11-13-26(14-12-25)34-22-24-9-6-16-31-15-5-4-10-27(24)31/h11-14,23-24,27H,1-10,15-22H2,(H,29,33)/t24-,27?/m0/s1
InChIKeyBWLHLODGURNDSZ-BXXZMZEQSA-N
MW468.69 g/mol
LogP5.06
Rot. Bonds6

About N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide

N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide (PubChem CID 143182217) has the molecular formula C28H44N4O2 and a molecular weight of 468.69 g/mol. Its IUPAC name is N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
PubChem CID143182217
Molecular FormulaC28H44N4O2
Molecular Weight468.69 g/mol
Exact Mass468.35
IUPAC NameN-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OC[C@@H]2CCCN3CCCCC23)cc1)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C28H44N4O2/c33-28(32-19-17-30(18-20-32)21-23-7-2-1-3-8-23)29-25-11-13-26(14-12-25)34-22-24-9-6-16-31-15-5-4-10-27(24)31/h11-14,23-24,27H,1-10,15-22H2,(H,29,33)/t24-,27?/m0/s1
InChIKeyBWLHLODGURNDSZ-BXXZMZEQSA-N
XLogP5.06
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.69
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
N-[4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 76607531
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
[4-[(3R)-3-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]piperidin-1-yl]cyclohexyl] acetate
CID 67220636
4-[(1-methylpiperidin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 11581776
N-(4-ethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336905
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 131960443
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide (CID 143182217) is N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(OC[C@@H]2CCCN3CCCCC23)cc1)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
The InChIKey is BWLHLODGURNDSZ-BXXZMZEQSA-N. The full InChI is InChI=1S/C28H44N4O2/c33-28(32-19-17-30(18-20-32)21-23-7-2-1-3-8-23)29-25-11-13-26(14-12-25)34-22-24-9-6-16-31-15-5-4-10-27(24)31/h11-14,23-24,27H,1-10,15-22H2,(H,29,33)/t24-,27?/m0/s1.
What are the key properties of N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide?
N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide has a molecular weight of 468.69 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 143182217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).