N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide

C20H28N2O2 — CID 111538804

IUPACN,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(c1ccc(N2CCC(O)CC2)cc1)N(CC1CC1)CC1CC1
InChIInChI=1S/C20H28N2O2/c23-19-9-11-21(12-10-19)18-7-5-17(6-8-18)20(24)22(13-15-1-2-15)14-16-3-4-16/h5-8,15-16,19,23H,1-4,9-14H2
InChIKeyYRSBTTWWBLVEHO-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.91
Rot. Bonds6

About N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide

N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 111538804) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID111538804
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(c1ccc(N2CCC(O)CC2)cc1)N(CC1CC1)CC1CC1
InChIInChI=1S/C20H28N2O2/c23-19-9-11-21(12-10-19)18-7-5-17(6-8-18)20(24)22(13-15-1-2-15)14-16-3-4-16/h5-8,15-16,19,23H,1-4,9-14H2
InChIKeyYRSBTTWWBLVEHO-UHFFFAOYSA-N
XLogP2.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
CID 111911911
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 111464649
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid
CID 167041268
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide (CID 111538804) is N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide is O=C(c1ccc(N2CCC(O)CC2)cc1)N(CC1CC1)CC1CC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is YRSBTTWWBLVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-9-11-21(12-10-19)18-7-5-17(6-8-18)20(24)22(13-15-1-2-15)14-16-3-4-16/h5-8,15-16,19,23H,1-4,9-14H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 111538804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).