2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone

C20H29N3O2 — CID 119297409

IUPAC2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)C(N)c3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-15-7-11-22(12-8-15)19(24)17-9-13-23(14-10-17)20(25)18(21)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,21H2,1H3
InChIKeyRKMISHCSFKYTBZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone

2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 119297409) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
PubChem CID119297409
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)C(N)c3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-15-7-11-22(12-8-15)19(24)17-9-13-23(14-10-17)20(25)18(21)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,21H2,1H3
InChIKeyRKMISHCSFKYTBZ-UHFFFAOYSA-N
XLogP2.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
CID 119887445
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
CID 119306958
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone (CID 119297409) is 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone is CC1CCN(C(=O)C2CCN(C(=O)C(N)c3ccccc3)CC2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is RKMISHCSFKYTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-7-11-22(12-8-15)19(24)17-9-13-23(14-10-17)20(25)18(21)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,21H2,1H3.
What are the key properties of 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 343.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119297409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).