(1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate

C23H28N2O2 — CID 158057663

IUPAC(1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate
SMILESCCCCN1CCC(OC(=O)c2c3c(C)cccc3n3ccccc23)CC1
InChIInChI=1S/C23H28N2O2/c1-3-4-13-24-15-11-18(12-16-24)27-23(26)22-20-9-5-6-14-25(20)19-10-7-8-17(2)21(19)22/h5-10,14,18H,3-4,11-13,15-16H2,1-2H3
InChIKeyFKGJNXNMDIPXSN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.82
Rot. Bonds5

About (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate

(1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate (PubChem CID 158057663) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate
PubChem CID158057663
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate
SMILESCCCCN1CCC(OC(=O)c2c3c(C)cccc3n3ccccc23)CC1
InChIInChI=1S/C23H28N2O2/c1-3-4-13-24-15-11-18(12-16-24)27-23(26)22-20-9-5-6-14-25(20)19-10-7-8-17(2)21(19)22/h5-10,14,18H,3-4,11-13,15-16H2,1-2H3
InChIKeyFKGJNXNMDIPXSN-UHFFFAOYSA-N
XLogP4.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
CID 59600654
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
(1-butylpiperidin-4-yl)methyl 2-chloro-1-methylindole-3-carboxylate
CID 54331187
[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 141158209
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
CID 13306778
1-(1-butylpiperidin-4-yl)indole
CID 23215946
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365
(1-butylpiperidin-4-yl) 5-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate
CID 159407391
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083

Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate (CID 158057663) is (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate is CCCCN1CCC(OC(=O)c2c3c(C)cccc3n3ccccc23)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate?
The InChIKey is FKGJNXNMDIPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-13-24-15-11-18(12-16-24)27-23(26)22-20-9-5-6-14-25(20)19-10-7-8-17(2)21(19)22/h5-10,14,18H,3-4,11-13,15-16H2,1-2H3.
What are the key properties of (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate?
(1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-4-yl) 1-methylpyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 158057663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).