N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C24H41N5O2 — CID 167348826

IUPACN-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NC(C3CC3)C3NCC(C(=O)NC4CNC4)CC3C)NC12
InChIInChI=1S/C24H41N5O2/c1-13-4-3-5-16-9-19(28-20(13)16)24(31)29-22(15-6-7-15)21-14(2)8-17(10-26-21)23(30)27-18-11-25-12-18/h13-22,25-26,28H,3-12H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyCSERNPOFCYBSKH-UHFFFAOYSA-N
MW431.63 g/mol
LogP0.75
Rot. Bonds6

About N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348826) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348826
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC NameN-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NC(C3CC3)C3NCC(C(=O)NC4CNC4)CC3C)NC12
InChIInChI=1S/C24H41N5O2/c1-13-4-3-5-16-9-19(28-20(13)16)24(31)29-22(15-6-7-15)21-14(2)8-17(10-26-21)23(30)27-18-11-25-12-18/h13-22,25-26,28H,3-12H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyCSERNPOFCYBSKH-UHFFFAOYSA-N
XLogP0.75
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348826) is N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCCC2CC(C(=O)NC(C3CC3)C3NCC(C(=O)NC4CNC4)CC3C)NC12.
What is the InChIKey of N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is CSERNPOFCYBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-13-4-3-5-16-9-19(28-20(13)16)24(31)29-22(15-6-7-15)21-14(2)8-17(10-26-21)23(30)27-18-11-25-12-18/h13-22,25-26,28H,3-12H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 431.63 g/mol, XLogP of 0.75, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).