(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C16H29N3O2 — CID 79379397

IUPAC(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCC1NCCC1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-13-15(2-5-17-13)16(20)19-6-3-14(4-7-19)12-18-8-10-21-11-9-18/h13-15,17H,2-12H2,1H3
InChIKeyIVNODHOPCUDWFW-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.56
Rot. Bonds3

About (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 79379397) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID79379397
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCC1NCCC1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-13-15(2-5-17-13)16(20)19-6-3-14(4-7-19)12-18-8-10-21-11-9-18/h13-15,17H,2-12H2,1H3
InChIKeyIVNODHOPCUDWFW-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone
CID 79384209
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 79389325
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 79379397) is (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CC1NCCC1C(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is IVNODHOPCUDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13-15(2-5-17-13)16(20)19-6-3-14(4-7-19)12-18-8-10-21-11-9-18/h13-15,17H,2-12H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 295.43 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79379397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).