3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide

C18H29N3O — CID 119867445

IUPAC3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1cccc(CN2CCC(C)CC2)c1
InChIInChI=1S/C18H29N3O/c1-14-6-8-21(9-7-14)13-17-5-3-4-16(11-17)12-20-18(22)10-15(2)19/h3-5,11,14-15H,6-10,12-13,19H2,1-2H3,(H,20,22)
InChIKeyYHEDWFGPRFMGCY-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.27
Rot. Bonds6

About 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide

3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 119867445) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID119867445
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1cccc(CN2CCC(C)CC2)c1
InChIInChI=1S/C18H29N3O/c1-14-6-8-21(9-7-14)13-17-5-3-4-16(11-17)12-20-18(22)10-15(2)19/h3-5,11,14-15H,6-10,12-13,19H2,1-2H3,(H,20,22)
InChIKeyYHEDWFGPRFMGCY-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
methyl 2-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]butanoate
CID 102562883
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
4-(aminomethyl)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxane-4-carboxamide
CID 120940311
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide (CID 119867445) is 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide is CC(N)CC(=O)NCc1cccc(CN2CCC(C)CC2)c1.
What is the InChIKey of 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is YHEDWFGPRFMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-6-8-21(9-7-14)13-17-5-3-4-16(11-17)12-20-18(22)10-15(2)19/h3-5,11,14-15H,6-10,12-13,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 303.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 119867445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).