N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide

C19H30N4O2 — CID 119803049

IUPACN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1cccc(NC(=O)N(C)C)c1)C1CCCNC1
InChIInChI=1S/C19H30N4O2/c1-14(16-7-5-9-20-13-16)10-18(24)21-12-15-6-4-8-17(11-15)22-19(25)23(2)3/h4,6,8,11,14,16,20H,5,7,9-10,12-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKSWLJSVUDPRJJX-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.42
Rot. Bonds6

About N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide

N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119803049) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID119803049
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1cccc(NC(=O)N(C)C)c1)C1CCCNC1
InChIInChI=1S/C19H30N4O2/c1-14(16-7-5-9-20-13-16)10-18(24)21-12-15-6-4-8-17(11-15)22-19(25)23(2)3/h4,6,8,11,14,16,20H,5,7,9-10,12-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKSWLJSVUDPRJJX-UHFFFAOYSA-N
XLogP2.42
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide (CID 119803049) is N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCc1cccc(NC(=O)N(C)C)c1)C1CCCNC1.
What is the InChIKey of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is KSWLJSVUDPRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(16-7-5-9-20-13-16)10-18(24)21-12-15-6-4-8-17(11-15)22-19(25)23(2)3/h4,6,8,11,14,16,20H,5,7,9-10,12-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide?
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 346.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119803049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).