N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide

C16H29N3O3 — CID 131939521

IUPACN-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NC2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-15(21)19-9-3-13(4-10-19)16(22)17-14-5-7-18(8-6-14)11-12-20/h13-14,20H,2-12H2,1H3,(H,17,22)
InChIKeyCXWGJKUHIMKGEL-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.21
Rot. Bonds5

About N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide

N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide (PubChem CID 131939521) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
PubChem CID131939521
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NC2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-15(21)19-9-3-13(4-10-19)16(22)17-14-5-7-18(8-6-14)11-12-20/h13-14,20H,2-12H2,1H3,(H,17,22)
InChIKeyCXWGJKUHIMKGEL-UHFFFAOYSA-N
XLogP0.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 169228908
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115151158

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide (CID 131939521) is N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)NC2CCN(CCO)CC2)CC1.
What is the InChIKey of N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide?
The InChIKey is CXWGJKUHIMKGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-15(21)19-9-3-13(4-10-19)16(22)17-14-5-7-18(8-6-14)11-12-20/h13-14,20H,2-12H2,1H3,(H,17,22).
What are the key properties of N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide?
N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 131939521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).