N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

C16H29N3O2 — CID 60504183

IUPACN-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(N2CCCC2)CC1)NCC1CCCO1
InChIInChI=1S/C16H29N3O2/c20-16(17-12-15-4-3-11-21-15)13-18-9-5-14(6-10-18)19-7-1-2-8-19/h14-15H,1-13H2,(H,17,20)
InChIKeyUHOKVJYRQHSASM-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.84
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 60504183) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
PubChem CID60504183
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(N2CCCC2)CC1)NCC1CCCO1
InChIInChI=1S/C16H29N3O2/c20-16(17-12-15-4-3-11-21-15)13-18-9-5-14(6-10-18)19-7-1-2-8-19/h14-15H,1-13H2,(H,17,20)
InChIKeyUHOKVJYRQHSASM-UHFFFAOYSA-N
XLogP0.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56741886
(1S,5R)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122556344
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94544768

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide (CID 60504183) is N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(N2CCCC2)CC1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is UHOKVJYRQHSASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-16(17-12-15-4-3-11-21-15)13-18-9-5-14(6-10-18)19-7-1-2-8-19/h14-15H,1-13H2,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 60504183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).