N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide

C18H27N3O2 — CID 119646571

IUPACN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
SMILESCCNCC1CCN(C(=O)c2cccc(NC(=O)CC)c2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-17(22)20-16-7-5-6-15(12-16)18(23)21-10-8-14(9-11-21)13-19-4-2/h5-7,12,14,19H,3-4,8-11,13H2,1-2H3,(H,20,22)
InChIKeySYWMYOYGJJKPEI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.50
Rot. Bonds6

About N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide

N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide (PubChem CID 119646571) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
PubChem CID119646571
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
SMILESCCNCC1CCN(C(=O)c2cccc(NC(=O)CC)c2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-17(22)20-16-7-5-6-15(12-16)18(23)21-10-8-14(9-11-21)13-19-4-2/h5-7,12,14,19H,3-4,8-11,13H2,1-2H3,(H,20,22)
InChIKeySYWMYOYGJJKPEI-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
[4-(ethylaminomethyl)piperidin-1-yl]-(3-nitrophenyl)methanone;hydrochloride
CID 119648091
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119545663

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide (CID 119646571) is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide is CCNCC1CCN(C(=O)c2cccc(NC(=O)CC)c2)CC1.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is SYWMYOYGJJKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-17(22)20-16-7-5-6-15(12-16)18(23)21-10-8-14(9-11-21)13-19-4-2/h5-7,12,14,19H,3-4,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 119646571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).