2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

C18H33N5O2 — CID 95557941

IUPAC2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)CN)CC3)C2)CC1
InChIInChI=1S/C18H33N5O2/c1-20-9-11-22(12-10-20)18(25)15-3-2-6-23(14-15)16-4-7-21(8-5-16)17(24)13-19/h15-16H,2-14,19H2,1H3/t15-/m0/s1
InChIKeyCJWSTDHPQPUXOK-HNNXBMFYSA-N
MW351.50 g/mol
LogP-0.58
Rot. Bonds3

About 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95557941) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID95557941
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)CN)CC3)C2)CC1
InChIInChI=1S/C18H33N5O2/c1-20-9-11-22(12-10-20)18(25)15-3-2-6-23(14-15)16-4-7-21(8-5-16)17(24)13-19/h15-16H,2-14,19H2,1H3/t15-/m0/s1
InChIKeyCJWSTDHPQPUXOK-HNNXBMFYSA-N
XLogP-0.58
TPSA73.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
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
3-cyclopropyl-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95403082
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669
3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 56875238
2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 95558760
[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
CID 96578533
4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 70735176

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 95557941) is 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is CN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)CN)CC3)C2)CC1.
What is the InChIKey of 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is CJWSTDHPQPUXOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-20-9-11-22(12-10-20)18(25)15-3-2-6-23(14-15)16-4-7-21(8-5-16)17(24)13-19/h15-16H,2-14,19H2,1H3/t15-/m0/s1.
What are the key properties of 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 351.50 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95557941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).