N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide

C16H31N3O2 — CID 128995387

IUPACN-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-17-16(20)19-8-5-14(6-9-19)18-11-13-7-10-21-15(13)12(2)3/h12-15,18H,4-11H2,1-3H3,(H,17,20)/t13-,15-/m1/s1
InChIKeySINFLEXLYQYIIM-UKRRQHHQSA-N
MW297.44 g/mol
LogP1.83
Rot. Bonds5

About N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide

N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide (PubChem CID 128995387) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
PubChem CID128995387
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-17-16(20)19-8-5-14(6-9-19)18-11-13-7-10-21-15(13)12(2)3/h12-15,18H,4-11H2,1-3H3,(H,17,20)/t13-,15-/m1/s1
InChIKeySINFLEXLYQYIIM-UKRRQHHQSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 129000271
N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
CID 115903388
(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
CID 128995391
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273
4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde
CID 86806740
N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine
CID 79368548
N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 124890213
N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
CID 115903706
(2R)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
CID 129325922
(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
CID 129325921
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine
CID 129006048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide (CID 128995387) is N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide is CCNC(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1.
What is the InChIKey of N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide?
The InChIKey is SINFLEXLYQYIIM-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-17-16(20)19-8-5-14(6-9-19)18-11-13-7-10-21-15(13)12(2)3/h12-15,18H,4-11H2,1-3H3,(H,17,20)/t13-,15-/m1/s1.
What are the key properties of N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide?
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 128995387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).