2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate

C16H30N2O3 — CID 97056288

IUPAC2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N[C@@H]2CCC[C@H]2CO)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-21-16(20)18-8-6-14(7-9-18)17-15-5-3-4-13(15)10-19/h12-15,17,19H,3-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyZTKUNKSAVDGOEC-DZGCQCFKSA-N
MW298.43 g/mol
LogP1.99
Rot. Bonds5

About 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate

2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate (PubChem CID 97056288) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
PubChem CID97056288
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N[C@@H]2CCC[C@H]2CO)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-21-16(20)18-8-6-14(7-9-18)17-15-5-3-4-13(15)10-19/h12-15,17,19H,3-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyZTKUNKSAVDGOEC-DZGCQCFKSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl N-[2-(hydroxymethyl)cyclopentyl]carbamate
CID 106364581
tert-butyl 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 84598727
tert-butyl (3S)-3-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 129432896
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
[2-[(1-methylazepan-4-yl)amino]cyclopentyl]methanol
CID 103859826
[2-[(4-methoxycyclohexyl)amino]cyclopentyl]methanol
CID 104530328

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate (CID 97056288) is 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(N[C@@H]2CCC[C@H]2CO)CC1.
What is the InChIKey of 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate?
The InChIKey is ZTKUNKSAVDGOEC-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)11-21-16(20)18-8-6-14(7-9-18)17-15-5-3-4-13(15)10-19/h12-15,17,19H,3-11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate?
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97056288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).