ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate

C14H26N2O4 — CID 124590693

IUPACethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
SMILESCCC[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)OCC)C1
InChIInChI=1S/C14H26N2O4/c1-3-6-12(17)9-15-13(18)11-7-5-8-16(10-11)14(19)20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyVNALSKQENREEPF-NWDGAFQWSA-N
MW286.37 g/mol
LogP1.13
Rot. Bonds6

About ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate

ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 124590693) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
PubChem CID124590693
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
SMILESCCC[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)OCC)C1
InChIInChI=1S/C14H26N2O4/c1-3-6-12(17)9-15-13(18)11-7-5-8-16(10-11)14(19)20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyVNALSKQENREEPF-NWDGAFQWSA-N
XLogP1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
CID 103958143
ethyl 3-[2-(1,1-dioxothian-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 75438577
ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
CID 60569016
ethyl (3S)-3-[2-(1,1-dioxothian-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 97253051
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 103771492
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
CID 20814354
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate (CID 124590693) is ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate is CCC[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)OCC)C1.
What is the InChIKey of ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is VNALSKQENREEPF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-6-12(17)9-15-13(18)11-7-5-8-16(10-11)14(19)20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,18)/t11-,12+/m0/s1.
What are the key properties of ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate?
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 124590693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).