N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide

C17H27N3O — CID 79537205

IUPACN-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)CC2CCCCN2)c1
InChIInChI=1S/C17H27N3O/c1-3-17(21)20-16-9-6-8-15(12-16)19-13(2)11-14-7-4-5-10-18-14/h6,8-9,12-14,18-19H,3-5,7,10-11H2,1-2H3,(H,20,21)
InChIKeyGRWLKRKTQKKRMM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.37
Rot. Bonds6

About N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide

N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide (PubChem CID 79537205) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
PubChem CID79537205
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)CC2CCCCN2)c1
InChIInChI=1S/C17H27N3O/c1-3-17(21)20-16-9-6-8-15(12-16)19-13(2)11-14-7-4-5-10-18-14/h6,8-9,12-14,18-19H,3-5,7,10-11H2,1-2H3,(H,20,21)
InChIKeyGRWLKRKTQKKRMM-UHFFFAOYSA-N
XLogP3.37
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
3-methylsulfanyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541794
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide?
The IUPAC name of N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide (CID 79537205) is N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(C)CC2CCCCN2)c1.
What is the InChIKey of N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide?
The InChIKey is GRWLKRKTQKKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-17(21)20-16-9-6-8-15(12-16)19-13(2)11-14-7-4-5-10-18-14/h6,8-9,12-14,18-19H,3-5,7,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide?
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 79537205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).