N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide

C18H27N3O2 — CID 54815065

IUPACN,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-20(2)18(23)11-8-15-6-9-16(10-7-15)19-17(22)14-21-12-4-3-5-13-21/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,19,22)
InChIKeyJJZUKBUAYVRSEU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.13
Rot. Bonds6

About N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide

N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide (PubChem CID 54815065) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
PubChem CID54815065
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-20(2)18(23)11-8-15-6-9-16(10-7-15)19-17(22)14-21-12-4-3-5-13-21/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,19,22)
InChIKeyJJZUKBUAYVRSEU-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide
CID 167840023
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide (CID 54815065) is N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide is CN(C)C(=O)CCc1ccc(NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide?
The InChIKey is JJZUKBUAYVRSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)18(23)11-8-15-6-9-16(10-7-15)19-17(22)14-21-12-4-3-5-13-21/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,19,22).
What are the key properties of N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide?
N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 54815065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).