2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C16H30N4O2 — CID 120631513

IUPAC2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C16H30N4O2/c1-12(2)18-15(21)11-19-6-8-20(9-7-19)16(22)14-4-5-17-13(3)10-14/h12-14,17H,4-11H2,1-3H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyHBLLTLKDOGXUHH-KBPBESRZSA-N
MW310.44 g/mol
LogP0.04
Rot. Bonds4

About 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 120631513) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID120631513
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C16H30N4O2/c1-12(2)18-15(21)11-19-6-8-20(9-7-19)16(22)14-4-5-17-13(3)10-14/h12-14,17H,4-11H2,1-3H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyHBLLTLKDOGXUHH-KBPBESRZSA-N
XLogP0.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120631687
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120640402
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 120638003
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 120631513) is 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1.
What is the InChIKey of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HBLLTLKDOGXUHH-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-12(2)18-15(21)11-19-6-8-20(9-7-19)16(22)14-4-5-17-13(3)10-14/h12-14,17H,4-11H2,1-3H3,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 310.44 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 120631513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).