2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide

C16H25N3O2 — CID 79735005

IUPAC2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
SMILESNCCCOC1CCN(Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C16H25N3O2/c17-8-3-11-21-14-6-9-19(10-7-14)12-13-4-1-2-5-15(13)16(18)20/h1-2,4-5,14H,3,6-12,17H2,(H2,18,20)
InChIKeyTWJZZHVZNTUCOG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.12
Rot. Bonds7

About 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide

2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide (PubChem CID 79735005) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
PubChem CID79735005
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
SMILESNCCCOC1CCN(Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C16H25N3O2/c17-8-3-11-21-14-6-9-19(10-7-14)12-13-4-1-2-5-15(13)16(18)20/h1-2,4-5,14H,3,6-12,17H2,(H2,18,20)
InChIKeyTWJZZHVZNTUCOG-UHFFFAOYSA-N
XLogP1.12
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606723
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide (CID 79735005) is 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide is NCCCOC1CCN(Cc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide?
The InChIKey is TWJZZHVZNTUCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-8-3-11-21-14-6-9-19(10-7-14)12-13-4-1-2-5-15(13)16(18)20/h1-2,4-5,14H,3,6-12,17H2,(H2,18,20).
What are the key properties of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide?
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 79735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).