(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide

C16H32N4O2 — CID 95967582

IUPAC(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
SMILESCCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C16H32N4O2/c1-3-18-7-9-19(10-8-18)12-14(2)11-17-16(22)20-6-4-5-15(21)13-20/h14-15,21H,3-13H2,1-2H3,(H,17,22)/t14-,15+/m0/s1
InChIKeyPWHZDHRGZJIKPQ-LSDHHAIUSA-N
MW312.46 g/mol
LogP0.43
Rot. Bonds5

About (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide

(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 95967582) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID95967582
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
SMILESCCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C16H32N4O2/c1-3-18-7-9-19(10-8-18)12-14(2)11-17-16(22)20-6-4-5-15(21)13-20/h14-15,21H,3-13H2,1-2H3,(H,17,22)/t14-,15+/m0/s1
InChIKeyPWHZDHRGZJIKPQ-LSDHHAIUSA-N
XLogP0.43
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
(2R)-N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95967596
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 110911484
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
CID 97027498
N-(2-ethylhexyl)-3-hydroxypiperidine-1-carboxamide
CID 71943752
(1S,6R)-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859845
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
CID 98202993
1-cycloheptyl-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylurea
CID 95967578
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide (CID 95967582) is (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide is CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](O)C2)CC1.
What is the InChIKey of (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is PWHZDHRGZJIKPQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-3-18-7-9-19(10-8-18)12-14(2)11-17-16(22)20-6-4-5-15(21)13-20/h14-15,21H,3-13H2,1-2H3,(H,17,22)/t14-,15+/m0/s1.
What are the key properties of (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide?
(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 95967582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).