1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone

C18H26N4O2 — CID 95827585

IUPAC1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC[C@H]1C(=O)N1CCC(c2ccc(C)cn2)CC1
InChIInChI=1S/C18H26N4O2/c1-13-3-4-16(20-11-13)15-5-8-21(9-6-15)18(24)17-12-19-7-10-22(17)14(2)23/h3-4,11,15,17,19H,5-10,12H2,1-2H3/t17-/m0/s1
InChIKeyRPAWCGDTBBNEPT-KRWDZBQOSA-N
MW330.43 g/mol
LogP0.92
Rot. Bonds2

About 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone

1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 95827585) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID95827585
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC[C@H]1C(=O)N1CCC(c2ccc(C)cn2)CC1
InChIInChI=1S/C18H26N4O2/c1-13-3-4-16(20-11-13)15-5-8-21(9-6-15)18(24)17-12-19-7-10-22(17)14(2)23/h3-4,11,15,17,19H,5-10,12H2,1-2H3/t17-/m0/s1
InChIKeyRPAWCGDTBBNEPT-KRWDZBQOSA-N
XLogP0.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
Tagorizine
CID 6436051
UR-12460
CID 9889404
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
1-(3-(N-(Methoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine
CID 3025824
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
(2S)-8-oxo-2-[3-(piperidin-1-yl)propanamido]-N-(quinolin-3-yl)nonanamide
CID 25023792
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
CID 118450420
2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 9911960
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone (CID 95827585) is 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCNC[C@H]1C(=O)N1CCC(c2ccc(C)cn2)CC1.
What is the InChIKey of 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RPAWCGDTBBNEPT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-3-4-16(20-11-13)15-5-8-21(9-6-15)18(24)17-12-19-7-10-22(17)14(2)23/h3-4,11,15,17,19H,5-10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95827585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).