2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C19H29N5O2 — CID 70708382

IUPAC2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(14-22-9-11-26-12-10-22)24-7-3-16(4-8-24)17-13-18(21-15-20-17)23-5-1-2-6-23/h13,15-16H,1-12,14H2
InChIKeyIEVDZKPNKYZZGI-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.12
Rot. Bonds4

About 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 70708382) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID70708382
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(14-22-9-11-26-12-10-22)24-7-3-16(4-8-24)17-13-18(21-15-20-17)23-5-1-2-6-23/h13,15-16H,1-12,14H2
InChIKeyIEVDZKPNKYZZGI-UHFFFAOYSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-Ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401430
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
N-cyclopropyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56910246
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanamine
CID 70751277
2-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)morpholine
CID 70754172
4-{2-Methyl-6-[1-(2-methylpentanoyl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 70758953
2-(2-Oxo-2-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}ethyl)morpholine
CID 70787883
2-[6-Ethyl-2-(4-morpholinyl)-4-pyrimidinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72927903

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 70708382) is 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCC(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is IEVDZKPNKYZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-19(14-22-9-11-26-12-10-22)24-7-3-16(4-8-24)17-13-18(21-15-20-17)23-5-1-2-6-23/h13,15-16H,1-12,14H2.
What are the key properties of 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70708382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).