N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

C20H34N6O — CID 129490773

IUPACN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1
InChIInChI=1S/C20H34N6O/c1-24(14-18-5-4-12-25-11-3-2-6-19(18)25)20(27)17-9-7-16(8-10-17)13-26-15-21-22-23-26/h15-19H,2-14H2,1H3/t16?,17?,18-,19+/m1/s1
InChIKeyORJWKYZXZHZGBX-GMNCBBECSA-N
MW374.53 g/mol
LogP2.20
Rot. Bonds5

About N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 129490773) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID129490773
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC NameN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1
InChIInChI=1S/C20H34N6O/c1-24(14-18-5-4-12-25-11-3-2-6-19(18)25)20(27)17-9-7-16(8-10-17)13-26-15-21-22-23-26/h15-19H,2-14H2,1H3/t16?,17?,18-,19+/m1/s1
InChIKeyORJWKYZXZHZGBX-GMNCBBECSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-(3-methylbutyl)-8-[3-(1H-tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70708593
(4aS*,8aR*)-1-propyl-6-[3-(1H-1,2,4-triazol-1-yl)propanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56882246
(4aS*,8aR*)-1-propyl-6-[4-(1H-1,2,4-triazol-1-yl)butanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56886701
(4aS*,8aR*)-1-isobutyl-6-[4-(1H-1,2,4-triazol-1-yl)butanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56890345
(4aS*,8aR*)-1-isobutyl-6-[3-(1H-1,2,4-triazol-1-yl)propanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56895109
(4aS*,8aR*)-1-butyl-6-[4-(1H-1,2,4-triazol-1-yl)butanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56897541
(4aS*,8aR*)-1-isobutyl-6-[4-(1H-tetrazol-1-yl)butanoyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56905611
N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 71753922
(4-Butylcyclohexyl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72143097
2-(4-Tert-butylcyclohexyl)-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 75361835
1-propyl-6-[4-(1,2,4-triazol-1-yl)butanoyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 76423967
1-(2-methylpropyl)-6-[4-(1,2,4-triazol-1-yl)butanoyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 76424877

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide (CID 129490773) is N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide is CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1.
What is the InChIKey of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is ORJWKYZXZHZGBX-GMNCBBECSA-N. The full InChI is InChI=1S/C20H34N6O/c1-24(14-18-5-4-12-25-11-3-2-6-19(18)25)20(27)17-9-7-16(8-10-17)13-26-15-21-22-23-26/h15-19H,2-14H2,1H3/t16?,17?,18-,19+/m1/s1.
What are the key properties of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129490773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).