4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

C21H38N4O2 — CID 70735176

IUPAC4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCN(C)CCCC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H38N4O2/c1-22(2)11-6-8-20(26)23-15-9-19(10-16-23)25-14-5-7-18(17-25)21(27)24-12-3-4-13-24/h18-19H,3-17H2,1-2H3
InChIKeyRNIFYEXDHJSFQV-UHFFFAOYSA-N
MW378.56 g/mol
LogP1.65
Rot. Bonds6

About 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 70735176) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID70735176
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCN(C)CCCC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H38N4O2/c1-22(2)11-6-8-20(26)23-15-9-19(10-16-23)25-14-5-7-18(17-25)21(27)24-12-3-4-13-24/h18-19H,3-17H2,1-2H3
InChIKeyRNIFYEXDHJSFQV-UHFFFAOYSA-N
XLogP1.65
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
CID 96578533
3-cyclopropyl-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95403082
2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 56875238
2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562754
2-methoxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562753
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
N-(3-cyclopentylpropyl)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 45204711
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (CID 70735176) is 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is CN(C)CCCC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is RNIFYEXDHJSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-22(2)11-6-8-20(26)23-15-9-19(10-16-23)25-14-5-7-18(17-25)21(27)24-12-3-4-13-24/h18-19H,3-17H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 378.56 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70735176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).