2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C22H40N4O2 — CID 126787947

IUPAC2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC1CCN(C(=O)C2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H40N4O2/c1-17(2)25-14-8-20(9-15-25)23-21(27)16-24-10-6-19(7-11-24)22(28)26-12-4-18(3)5-13-26/h17-20H,4-16H2,1-3H3,(H,23,27)
InChIKeyALNBFFWDQRGQAG-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.95
Rot. Bonds5

About 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 126787947) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID126787947
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC1CCN(C(=O)C2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H40N4O2/c1-17(2)25-14-8-20(9-15-25)23-21(27)16-24-10-6-19(7-11-24)22(28)26-12-4-18(3)5-13-26/h17-20H,4-16H2,1-3H3,(H,23,27)
InChIKeyALNBFFWDQRGQAG-UHFFFAOYSA-N
XLogP1.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 126769642
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 124726575
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 126787947) is 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC1CCN(C(=O)C2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is ALNBFFWDQRGQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-17(2)25-14-8-20(9-15-25)23-21(27)16-24-10-6-19(7-11-24)22(28)26-12-4-18(3)5-13-26/h17-20H,4-16H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 392.59 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 126787947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).