(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C17H31N3O — CID 61243540

IUPAC(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCC1CCCC(C(=O)N2CCC(N3CCCCC3)CC2)N1
InChIInChI=1S/C17H31N3O/c1-14-6-5-7-16(18-14)17(21)20-12-8-15(9-13-20)19-10-3-2-4-11-19/h14-16,18H,2-13H2,1H3
InChIKeyPVDVLPIMVZRUSO-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.99
Rot. Bonds2

About (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 61243540) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID61243540
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCC1CCCC(C(=O)N2CCC(N3CCCCC3)CC2)N1
InChIInChI=1S/C17H31N3O/c1-14-6-5-7-16(18-14)17(21)20-12-8-15(9-13-20)19-10-3-2-4-11-19/h14-16,18H,2-13H2,1H3
InChIKeyPVDVLPIMVZRUSO-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone
CID 68806111
1-[4-(6-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55002784
[4-(1-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 106836044
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
2-[1-(6-methylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54989106
(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372243
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[3-(2-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 107227490
[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 163632018
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887

Frequently Asked Questions

What is the IUPAC name of (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 61243540) is (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is CC1CCCC(C(=O)N2CCC(N3CCCCC3)CC2)N1.
What is the InChIKey of (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is PVDVLPIMVZRUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-6-5-7-16(18-14)17(21)20-12-8-15(9-13-20)19-10-3-2-4-11-19/h14-16,18H,2-13H2,1H3.
What are the key properties of (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 293.46 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61243540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).