N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride

C21H34Cl2N4O — CID 119891270

IUPACN-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H32N4O.2ClH/c1-16(18-5-4-9-22-15-18)13-21(26)23-19-7-6-17-8-10-25(20(17)14-19)12-11-24(2)3;;/h6-8,10,14,16,18,22H,4-5,9,11-13,15H2,1-3H3,(H,23,26);2*1H
InChIKeyYQDGIXDQSGIDNY-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.01
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119891270) has the molecular formula C21H34Cl2N4O and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119891270
Molecular FormulaC21H34Cl2N4O
Molecular Weight429.44 g/mol
Exact Mass428.21
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H32N4O.2ClH/c1-16(18-5-4-9-22-15-18)13-21(26)23-19-7-6-17-8-10-25(20(17)14-19)12-11-24(2)3;;/h6-8,10,14,16,18,22H,4-5,9,11-13,15H2,1-3H3,(H,23,26);2*1H
InChIKeyYQDGIXDQSGIDNY-UHFFFAOYSA-N
XLogP4.01
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743870
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119781418
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119891270) is N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is YQDGIXDQSGIDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.2ClH/c1-16(18-5-4-9-22-15-18)13-21(26)23-19-7-6-17-8-10-25(20(17)14-19)12-11-24(2)3;;/h6-8,10,14,16,18,22H,4-5,9,11-13,15H2,1-3H3,(H,23,26);2*1H.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 429.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119891270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).