N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide

C16H25N3O2 — CID 43372637

IUPACN-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-12(19-9-7-15(21-2)8-10-19)16(20)18-14-5-3-13(11-17)4-6-14/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyYSRWDXKSUPNNRU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.58
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide

N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide (PubChem CID 43372637) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
PubChem CID43372637
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-12(19-9-7-15(21-2)8-10-19)16(20)18-14-5-3-13(11-17)4-6-14/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyYSRWDXKSUPNNRU-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 154749994
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 56810586
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide (CID 43372637) is N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide is COC1CCN(C(C)C(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide?
The InChIKey is YSRWDXKSUPNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(19-9-7-15(21-2)8-10-19)16(20)18-14-5-3-13(11-17)4-6-14/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide?
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 43372637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).