[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone

C17H28N2O2 — CID 95380672

IUPAC[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
SMILESC#CCN1CCC(C(=O)N2CCOC[C@H]2CC(C)C)CC1
InChIInChI=1S/C17H28N2O2/c1-4-7-18-8-5-15(6-9-18)17(20)19-10-11-21-13-16(19)12-14(2)3/h1,14-16H,5-13H2,2-3H3/t16-/m1/s1
InChIKeyUFOZFRNHCVPMHZ-MRXNPFEDSA-N
MW292.42 g/mol
LogP1.61
Rot. Bonds4

About [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone

[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone (PubChem CID 95380672) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
PubChem CID95380672
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
SMILESC#CCN1CCC(C(=O)N2CCOC[C@H]2CC(C)C)CC1
InChIInChI=1S/C17H28N2O2/c1-4-7-18-8-5-15(6-9-18)17(20)19-10-11-21-13-16(19)12-14(2)3/h1,14-16H,5-13H2,2-3H3/t16-/m1/s1
InChIKeyUFOZFRNHCVPMHZ-MRXNPFEDSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 95380643
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 70650528
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
CID 119782067
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one
CID 120592120
(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 99627905
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 91642758

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone (CID 95380672) is [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone is C#CCN1CCC(C(=O)N2CCOC[C@H]2CC(C)C)CC1.
What is the InChIKey of [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone?
The InChIKey is UFOZFRNHCVPMHZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-7-18-8-5-15(6-9-18)17(20)19-10-11-21-13-16(19)12-14(2)3/h1,14-16H,5-13H2,2-3H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone?
[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone has a molecular weight of 292.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone is sourced from PubChem (CID 95380672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).