2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone

C20H29N3O2 — CID 54831366

IUPAC2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
SMILESCC1CCN(C(=O)c2ccc(NCC(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-9-13-23(14-10-16)20(25)17-5-7-18(8-6-17)21-15-19(24)22-11-3-2-4-12-22/h5-8,16,21H,2-4,9-15H2,1H3
InChIKeyLYJXXTHUVUBVLV-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone

2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone (PubChem CID 54831366) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
PubChem CID54831366
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
SMILESCC1CCN(C(=O)c2ccc(NCC(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-9-13-23(14-10-16)20(25)17-5-7-18(8-6-17)21-15-19(24)22-11-3-2-4-12-22/h5-8,16,21H,2-4,9-15H2,1H3
InChIKeyLYJXXTHUVUBVLV-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
CID 54843401
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835990
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone (CID 54831366) is 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone is CC1CCN(C(=O)c2ccc(NCC(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone?
The InChIKey is LYJXXTHUVUBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-9-13-23(14-10-16)20(25)17-5-7-18(8-6-17)21-15-19(24)22-11-3-2-4-12-22/h5-8,16,21H,2-4,9-15H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone?
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone has a molecular weight of 343.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 54831366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).