[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone

C16H24N4O2 — CID 113073695

IUPAC[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C16H24N4O2/c21-16(15-2-1-3-17-14-15)20-8-6-18(7-9-20)4-5-19-10-12-22-13-11-19/h1-3,14H,4-13H2
InChIKeyKCDQTNFHJSGFQX-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.17
Rot. Bonds4

About [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 113073695) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID113073695
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C16H24N4O2/c21-16(15-2-1-3-17-14-15)20-8-6-18(7-9-20)4-5-19-10-12-22-13-11-19/h1-3,14H,4-13H2
InChIKeyKCDQTNFHJSGFQX-UHFFFAOYSA-N
XLogP0.17
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
but-2-enedioic acid;3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 171150767
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 113073695) is [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is KCDQTNFHJSGFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(15-2-1-3-17-14-15)20-8-6-18(7-9-20)4-5-19-10-12-22-13-11-19/h1-3,14H,4-13H2.
What are the key properties of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 113073695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).