2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide

C18H25N3O3 — CID 119625161

IUPAC2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25N3O3/c19-17(22)12-24-16-4-2-1-3-15(16)18(23)21-9-7-14(8-10-21)20-11-13-5-6-13/h1-4,13-14,20H,5-12H2,(H2,19,22)
InChIKeyBSIVZVMQZRUHDY-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.15
Rot. Bonds7

About 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide

2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 119625161) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID119625161
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25N3O3/c19-17(22)12-24-16-4-2-1-3-15(16)18(23)21-9-7-14(8-10-21)20-11-13-5-6-13/h1-4,13-14,20H,5-12H2,(H2,19,22)
InChIKeyBSIVZVMQZRUHDY-UHFFFAOYSA-N
XLogP1.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
CID 119639113
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 119622438
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
2-[2-(4-ethyl-4-hydroxypiperidine-1-carbonyl)phenoxy]acetamide
CID 119138250
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide (CID 119625161) is 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1ccccc1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is BSIVZVMQZRUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(22)12-24-16-4-2-1-3-15(16)18(23)21-9-7-14(8-10-21)20-11-13-5-6-13/h1-4,13-14,20H,5-12H2,(H2,19,22).
What are the key properties of 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide?
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 119625161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).