2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride

C22H34ClN3O3 — CID 120791093

IUPAC2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCCC(C(=O)N1CCC(NC(=O)C(N)C2CCOCC2)CC1)c1ccccc1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-2-19(16-6-4-3-5-7-16)22(27)25-12-8-18(9-13-25)24-21(26)20(23)17-10-14-28-15-11-17;/h3-7,17-20H,2,8-15,23H2,1H3,(H,24,26);1H
InChIKeyHKFYEDCPWYLCRO-UHFFFAOYSA-N
MW423.99 g/mol
LogP2.46
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride (PubChem CID 120791093) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
PubChem CID120791093
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCCC(C(=O)N1CCC(NC(=O)C(N)C2CCOCC2)CC1)c1ccccc1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-2-19(16-6-4-3-5-7-16)22(27)25-12-8-18(9-13-25)24-21(26)20(23)17-10-14-28-15-11-17;/h3-7,17-20H,2,8-15,23H2,1H3,(H,24,26);1H
InChIKeyHKFYEDCPWYLCRO-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride (CID 120791093) is 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride is CCC(C(=O)N1CCC(NC(=O)C(N)C2CCOCC2)CC1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is HKFYEDCPWYLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c1-2-19(16-6-4-3-5-7-16)22(27)25-12-8-18(9-13-25)24-21(26)20(23)17-10-14-28-15-11-17;/h3-7,17-20H,2,8-15,23H2,1H3,(H,24,26);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 120791093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).