2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

C18H32N4O2 — CID 70742658

IUPAC2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H32N4O2/c1-19-13-17(23)20-11-6-16(7-12-20)22-10-4-5-15(14-22)18(24)21-8-2-3-9-21/h15-16,19H,2-14H2,1H3
InChIKeyUHMIKZPJVMEJIM-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.53
Rot. Bonds4

About 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 70742658) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID70742658
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H32N4O2/c1-19-13-17(23)20-11-6-16(7-12-20)22-10-4-5-15(14-22)18(24)21-8-2-3-9-21/h15-16,19H,2-14H2,1H3
InChIKeyUHMIKZPJVMEJIM-UHFFFAOYSA-N
XLogP0.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
CID 96578533
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669
4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 70735176
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
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
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
3-cyclopropyl-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95403082
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 95558760
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 70742658) is 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UHMIKZPJVMEJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-19-13-17(23)20-11-6-16(7-12-20)22-10-4-5-15(14-22)18(24)21-8-2-3-9-21/h15-16,19H,2-14H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70742658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).