1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

C20H29N3O3 — CID 119376198

IUPAC1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESNC1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O3/c21-17-8-12-22(13-9-17)20(25)16-5-4-11-23(15-16)19(24)10-14-26-18-6-2-1-3-7-18/h1-3,6-7,16-17H,4-5,8-15,21H2
InChIKeyNFHQFWZTPFZQTJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.64
Rot. Bonds5

About 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 119376198) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID119376198
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESNC1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O3/c21-17-8-12-22(13-9-17)20(25)16-5-4-11-23(15-16)19(24)10-14-26-18-6-2-1-3-7-18/h1-3,6-7,16-17H,4-5,8-15,21H2
InChIKeyNFHQFWZTPFZQTJ-UHFFFAOYSA-N
XLogP1.64
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371132
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55967026
1-[3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55967043

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 119376198) is 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is NC1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1.
What is the InChIKey of 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is NFHQFWZTPFZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c21-17-8-12-22(13-9-17)20(25)16-5-4-11-23(15-16)19(24)10-14-26-18-6-2-1-3-7-18/h1-3,6-7,16-17H,4-5,8-15,21H2.
What are the key properties of 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 119376198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).