2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C18H31N3O3 — CID 131918527

IUPAC2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(C(=O)N2CCCC(CO)(CC3CC3)C2)C1
InChIInChI=1S/C18H31N3O3/c19-16(23)11-20-7-1-3-15(10-20)17(24)21-8-2-6-18(12-21,13-22)9-14-4-5-14/h14-15,22H,1-13H2,(H2,19,23)
InChIKeyGDXNONGMSMIBLO-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.58
Rot. Bonds6

About 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 131918527) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID131918527
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(C(=O)N2CCCC(CO)(CC3CC3)C2)C1
InChIInChI=1S/C18H31N3O3/c19-16(23)11-20-7-1-3-15(10-20)17(24)21-8-2-6-18(12-21,13-22)9-14-4-5-14/h14-15,22H,1-13H2,(H2,19,23)
InChIKeyGDXNONGMSMIBLO-UHFFFAOYSA-N
XLogP0.58
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131943214
1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 97121947
2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745
2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 96579249
(3S,4S)-1-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-4-propylpyrrolidine-3-carboxylic acid
CID 131892167
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97123436
2-[(3R)-3-[(1S,3S,7S,10S,11R)-11-hydroxy-1,12-dimethyl-5,12-diazatricyclo[5.3.1.13,10]dodecane-5-carbonyl]piperidin-1-yl]acetamide
CID 124995477
(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 97121414
2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138768
2-[(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138769
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 131918527) is 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(C(=O)N2CCCC(CO)(CC3CC3)C2)C1.
What is the InChIKey of 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is GDXNONGMSMIBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c19-16(23)11-20-7-1-3-15(10-20)17(24)21-8-2-6-18(12-21,13-22)9-14-4-5-14/h14-15,22H,1-13H2,(H2,19,23).
What are the key properties of 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 131918527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).