N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide

C16H32N4O2 — CID 110895987

IUPACN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)CCN1CCC(NC(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-18(2)11-12-19-7-5-15(6-8-19)17-16(22)20-9-3-14(13-21)4-10-20/h14-15,21H,3-13H2,1-2H3,(H,17,22)
InChIKeyUOOAWZLWSSXGIM-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.43
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110895987) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110895987
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)CCN1CCC(NC(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-18(2)11-12-19-7-5-15(6-8-19)17-16(22)20-9-3-14(13-21)4-10-20/h14-15,21H,3-13H2,1-2H3,(H,17,22)
InChIKeyUOOAWZLWSSXGIM-UHFFFAOYSA-N
XLogP0.43
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110911537
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044260
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
CID 79160685
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 117004168
4-(hydroxymethyl)-N-methylazepane-1-carboxamide
CID 130892258
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110895987) is N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide is CN(C)CCN1CCC(NC(=O)N2CCC(CO)CC2)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UOOAWZLWSSXGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-18(2)11-12-19-7-5-15(6-8-19)17-16(22)20-9-3-14(13-21)4-10-20/h14-15,21H,3-13H2,1-2H3,(H,17,22).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110895987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).