[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol

C24H28N4O — CID 68727972

IUPAC[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN([C@H]2CCN(c3nccc(-c4ccc5ccccc5c4)n3)C2)C1
InChIInChI=1S/C24H28N4O/c29-17-18-4-3-12-27(15-18)22-10-13-28(16-22)24-25-11-9-23(26-24)21-8-7-19-5-1-2-6-20(19)14-21/h1-2,5-9,11,14,18,22,29H,3-4,10,12-13,15-17H2/t18?,22-/m0/s1
InChIKeyZNCGKSXORMZUIP-YSYXNDDBSA-N
MW388.51 g/mol
LogP3.58
Rot. Bonds4

About [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol

[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol (PubChem CID 68727972) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
PubChem CID68727972
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN([C@H]2CCN(c3nccc(-c4ccc5ccccc5c4)n3)C2)C1
InChIInChI=1S/C24H28N4O/c29-17-18-4-3-12-27(15-18)22-10-13-28(16-22)24-25-11-9-23(26-24)21-8-7-19-5-1-2-6-20(19)14-21/h1-2,5-9,11,14,18,22,29H,3-4,10,12-13,15-17H2/t18?,22-/m0/s1
InChIKeyZNCGKSXORMZUIP-YSYXNDDBSA-N
XLogP3.58
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727587
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054
N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
CID 69082132
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512

Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol (CID 68727972) is [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol is OCC1CCCN([C@H]2CCN(c3nccc(-c4ccc5ccccc5c4)n3)C2)C1.
What is the InChIKey of [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol?
The InChIKey is ZNCGKSXORMZUIP-YSYXNDDBSA-N. The full InChI is InChI=1S/C24H28N4O/c29-17-18-4-3-12-27(15-18)22-10-13-28(16-22)24-25-11-9-23(26-24)21-8-7-19-5-1-2-6-20(19)14-21/h1-2,5-9,11,14,18,22,29H,3-4,10,12-13,15-17H2/t18?,22-/m0/s1.
What are the key properties of [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol?
[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol has a molecular weight of 388.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 68727972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).