tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate

C15H29N3O3 — CID 94648216

IUPACtert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
SMILESCC(C)CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-11(2)9-16-13(19)18-8-6-7-12(10-18)17-14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyVYPGEAMDMPVFFT-GFCCVEGCSA-N
MW299.41 g/mol
LogP2.34
Rot. Bonds3

About tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate (PubChem CID 94648216) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
PubChem CID94648216
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
SMILESCC(C)CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-11(2)9-16-13(19)18-8-6-7-12(10-18)17-14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyVYPGEAMDMPVFFT-GFCCVEGCSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
CID 130475488
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate
CID 124831975
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[1-[(4-cyanophenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 51122186
tert-butyl N-[(3S)-1-(2-adamantylcarbamoyl)piperidin-3-yl]carbamate
CID 66883397
tert-butyl N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 55911105
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate (CID 94648216) is tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate is CC(C)CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate?
The InChIKey is VYPGEAMDMPVFFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)9-16-13(19)18-8-6-7-12(10-18)17-14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 94648216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).