(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

C15H31N3O2 — CID 97038211

IUPAC(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H](CO)C1)C(C)(C)CN(C)C
InChIInChI=1S/C15H31N3O2/c1-12(15(2,3)11-17(4)5)16-14(20)18-8-6-7-13(9-18)10-19/h12-13,19H,6-11H2,1-5H3,(H,16,20)/t12-,13-/m0/s1
InChIKeyUOXYRYRHJIZLRN-STQMWFEESA-N
MW285.43 g/mol
LogP1.38
Rot. Bonds5

About (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 97038211) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID97038211
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H](CO)C1)C(C)(C)CN(C)C
InChIInChI=1S/C15H31N3O2/c1-12(15(2,3)11-17(4)5)16-14(20)18-8-6-7-13(9-18)10-19/h12-13,19H,6-11H2,1-5H3,(H,16,20)/t12-,13-/m0/s1
InChIKeyUOXYRYRHJIZLRN-STQMWFEESA-N
XLogP1.38
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471771
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 97038211) is (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@H](CO)C1)C(C)(C)CN(C)C.
What is the InChIKey of (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UOXYRYRHJIZLRN-STQMWFEESA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(15(2,3)11-17(4)5)16-14(20)18-8-6-7-13(9-18)10-19/h12-13,19H,6-11H2,1-5H3,(H,16,20)/t12-,13-/m0/s1.
What are the key properties of (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97038211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).