N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide

C20H37N3O3 — CID 131934406

IUPACN-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide
SMILESCN(C)CC1(CO)CCCN(C(=O)CCC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C20H37N3O3/c1-22(2)14-20(16-24)12-7-13-23(15-20)19(26)11-10-18(25)21-17-8-5-3-4-6-9-17/h17,24H,3-16H2,1-2H3,(H,21,25)
InChIKeyGUSPLWYEDUQXPZ-UHFFFAOYSA-N
MW367.53 g/mol
LogP1.77
Rot. Bonds7

About N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide

N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide (PubChem CID 131934406) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide
PubChem CID131934406
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC NameN-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide
SMILESCN(C)CC1(CO)CCCN(C(=O)CCC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C20H37N3O3/c1-22(2)14-20(16-24)12-7-13-23(15-20)19(26)11-10-18(25)21-17-8-5-3-4-6-9-17/h17,24H,3-16H2,1-2H3,(H,21,25)
InChIKeyGUSPLWYEDUQXPZ-UHFFFAOYSA-N
XLogP1.77
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 131943805
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110279144
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide
CID 72871248
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride
CID 154907504
N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
CID 46987810
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide?
The IUPAC name of N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide (CID 131934406) is N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide is CN(C)CC1(CO)CCCN(C(=O)CCC(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide?
The InChIKey is GUSPLWYEDUQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-22(2)14-20(16-24)12-7-13-23(15-20)19(26)11-10-18(25)21-17-8-5-3-4-6-9-17/h17,24H,3-16H2,1-2H3,(H,21,25).
What are the key properties of N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide?
N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide has a molecular weight of 367.53 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 131934406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).