2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide

C19H30N4O2 — CID 166237669

IUPAC2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)NCC2CCNCC2)c1
InChIInChI=1S/C19H30N4O2/c1-3-14(2)18(24)23-17-6-4-5-16(11-17)13-22-19(25)21-12-15-7-9-20-10-8-15/h4-6,11,14-15,20H,3,7-10,12-13H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyLDJVEWIQCUJIPM-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.47
Rot. Bonds7

About 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide

2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide (PubChem CID 166237669) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
PubChem CID166237669
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)NCC2CCNCC2)c1
InChIInChI=1S/C19H30N4O2/c1-3-14(2)18(24)23-17-6-4-5-16(11-17)13-22-19(25)21-12-15-7-9-20-10-8-15/h4-6,11,14-15,20H,3,7-10,12-13H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyLDJVEWIQCUJIPM-UHFFFAOYSA-N
XLogP2.47
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119716873
N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 95263169
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
N-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]phenyl]-2-methylbutanamide
CID 87005981
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
2-methyl-N-[3-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]phenyl]butanamide
CID 119936534
4-(aminomethyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120923346
(2S)-N-[3-[[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]phenyl]-2-methylbutanamide
CID 129377108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide?
The IUPAC name of 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide (CID 166237669) is 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide is CCC(C)C(=O)Nc1cccc(CNC(=O)NCC2CCNCC2)c1.
What is the InChIKey of 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide?
The InChIKey is LDJVEWIQCUJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-14(2)18(24)23-17-6-4-5-16(11-17)13-22-19(25)21-12-15-7-9-20-10-8-15/h4-6,11,14-15,20H,3,7-10,12-13H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide?
2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide has a molecular weight of 346.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide is sourced from PubChem (CID 166237669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).