1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one

C26H34N4O — CID 129279672

IUPAC1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H34N4O/c31-26-7-4-15-30(26)23-10-8-21(9-11-23)27-14-18-29-16-12-22(13-17-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24-25,27-28H,4,7,12-19H2/t24-,25+/m0/s1
InChIKeyVBPGIKQABFJECT-LOSJGSFVSA-N
MW418.59 g/mol
LogP3.84
Rot. Bonds8

About 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one

1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 129279672) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one
PubChem CID129279672
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H34N4O/c31-26-7-4-15-30(26)23-10-8-21(9-11-23)27-14-18-29-16-12-22(13-17-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24-25,27-28H,4,7,12-19H2/t24-,25+/m0/s1
InChIKeyVBPGIKQABFJECT-LOSJGSFVSA-N
XLogP3.84
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one
CID 78820714
1-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129280571
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111413892
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
1-[4-(3-methylsulfanylpropylamino)phenyl]pyrrolidin-2-one
CID 43679602
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one
CID 43780085
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
CID 164696726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one (CID 129279672) is 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is VBPGIKQABFJECT-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H34N4O/c31-26-7-4-15-30(26)23-10-8-21(9-11-23)27-14-18-29-16-12-22(13-17-29)28-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24-25,27-28H,4,7,12-19H2/t24-,25+/m0/s1.
What are the key properties of 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one?
1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 418.59 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 129279672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).