1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C26H32N4O5 — CID 95342823

IUPAC1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1
InChIInChI=1S/C26H32N4O5/c31-23(18-27-14-16-35-17-15-27)28-10-12-29(13-11-28)26(34)22-6-3-9-30(22)25(33)21-8-7-19-4-1-2-5-20(19)24(21)32/h1-2,4-5,7-8,22,32H,3,6,9-18H2/t22-/m1/s1
InChIKeyMJHPAXDYSHGKTK-JOCHJYFZSA-N
MW480.57 g/mol
LogP1.15
Rot. Bonds4

About 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 95342823) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID95342823
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1
InChIInChI=1S/C26H32N4O5/c31-23(18-27-14-16-35-17-15-27)28-10-12-29(13-11-28)26(34)22-6-3-9-30(22)25(33)21-8-7-19-4-1-2-5-20(19)24(21)32/h1-2,4-5,7-8,22,32H,3,6,9-18H2/t22-/m1/s1
InChIKeyMJHPAXDYSHGKTK-JOCHJYFZSA-N
XLogP1.15
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55608140
(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 87749033
[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 95619677
[2-(bromomethyl)pyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 80678334
(1-hydroxynaphthalen-2-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 111696077
1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496847
(2S)-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 97024105
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136529072
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496718
1-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671529
(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 52515302

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 95342823) is 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1.
What is the InChIKey of 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is MJHPAXDYSHGKTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N4O5/c31-23(18-27-14-16-35-17-15-27)28-10-12-29(13-11-28)26(34)22-6-3-9-30(22)25(33)21-8-7-19-4-1-2-5-20(19)24(21)32/h1-2,4-5,7-8,22,32H,3,6,9-18H2/t22-/m1/s1.
What are the key properties of 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 480.57 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 95342823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).