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

C20H35N3O — CID 148599613

IUPACN-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)N[C@H](C3CC3)C3NCCCC3C)NC12
InChIInChI=1S/C20H35N3O/c1-12-5-3-7-15-11-16(22-17(12)15)20(24)23-19(14-8-9-14)18-13(2)6-4-10-21-18/h12-19,21-22H,3-11H2,1-2H3,(H,23,24)/t12?,13?,15?,16?,17?,18?,19-/m1/s1
InChIKeyKBEKLPWUFBGVKS-UBWAJPIHSA-N
MW333.52 g/mol
LogP2.44
Rot. Bonds4

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

N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 148599613) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID148599613
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)N[C@H](C3CC3)C3NCCCC3C)NC12
InChIInChI=1S/C20H35N3O/c1-12-5-3-7-15-11-16(22-17(12)15)20(24)23-19(14-8-9-14)18-13(2)6-4-10-21-18/h12-19,21-22H,3-11H2,1-2H3,(H,23,24)/t12?,13?,15?,16?,17?,18?,19-/m1/s1
InChIKeyKBEKLPWUFBGVKS-UBWAJPIHSA-N
XLogP2.44
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 148599613) is N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCCC2CC(C(=O)N[C@H](C3CC3)C3NCCCC3C)NC12.
What is the InChIKey of N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is KBEKLPWUFBGVKS-UBWAJPIHSA-N. The full InChI is InChI=1S/C20H35N3O/c1-12-5-3-7-15-11-16(22-17(12)15)20(24)23-19(14-8-9-14)18-13(2)6-4-10-21-18/h12-19,21-22H,3-11H2,1-2H3,(H,23,24)/t12?,13?,15?,16?,17?,18?,19-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 333.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 148599613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).