N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide

C18H28N4O2 — CID 119721978

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H28N4O2/c1-12(14-7-9-20-10-8-14)11-17(23)21-13(2)15-3-5-16(6-4-15)22-18(19)24/h3-6,12-14,20H,7-11H2,1-2H3,(H,21,23)(H3,19,22,24)
InChIKeyZABUEMKTVHHEAW-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.38
Rot. Bonds6

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119721978) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119721978
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H28N4O2/c1-12(14-7-9-20-10-8-14)11-17(23)21-13(2)15-3-5-16(6-4-15)22-18(19)24/h3-6,12-14,20H,7-11H2,1-2H3,(H,21,23)(H3,19,22,24)
InChIKeyZABUEMKTVHHEAW-UHFFFAOYSA-N
XLogP2.38
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119750157
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide (CID 119721978) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide is CC(NC(=O)CC(C)C1CCNCC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is ZABUEMKTVHHEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(14-7-9-20-10-8-14)11-17(23)21-13(2)15-3-5-16(6-4-15)22-18(19)24/h3-6,12-14,20H,7-11H2,1-2H3,(H,21,23)(H3,19,22,24).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119721978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).