[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C26H33N3O3 — CID 23587230

IUPAC[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)N3CCC(c4cccc(CN)c4)CC3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-32-24-7-5-21(6-8-24)25(30)22-11-15-29(16-12-22)26(31)28-13-9-20(10-14-28)23-4-2-3-19(17-23)18-27/h2-8,17,20,22H,9-16,18,27H2,1H3
InChIKeyBZZBLOHPVIVVEV-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.05
Rot. Bonds5

About [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 23587230) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID23587230
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)N3CCC(c4cccc(CN)c4)CC3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-32-24-7-5-21(6-8-24)25(30)22-11-15-29(16-12-22)26(31)28-13-9-20(10-14-28)23-4-2-3-19(17-23)18-27/h2-8,17,20,22H,9-16,18,27H2,1H3
InChIKeyBZZBLOHPVIVVEV-UHFFFAOYSA-N
XLogP4.05
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 23587168
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 23587361
(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
CID 25475118
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]naphthalen-1-yl]boronic acid
CID 90206946
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 25472870
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378

Frequently Asked Questions

What is the IUPAC name of [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 23587230) is [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)N3CCC(c4cccc(CN)c4)CC3)CC2)cc1.
What is the InChIKey of [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is BZZBLOHPVIVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-32-24-7-5-21(6-8-24)25(30)22-11-15-29(16-12-22)26(31)28-13-9-20(10-14-28)23-4-2-3-19(17-23)18-27/h2-8,17,20,22H,9-16,18,27H2,1H3.
What are the key properties of [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 435.57 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 23587230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).