N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C22H33BrN4O2 — CID 30736722

IUPACN-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCC[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H33BrN4O2/c1-2-20(18-6-8-19(23)9-7-18)24-21(28)16-25-12-14-26(15-13-25)17-22(29)27-10-4-3-5-11-27/h6-9,20H,2-5,10-17H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyPDUQVNLBRDNULX-FQEVSTJZSA-N
MW465.44 g/mol
LogP2.65
Rot. Bonds7

About N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 30736722) has the molecular formula C22H33BrN4O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID30736722
Molecular FormulaC22H33BrN4O2
Molecular Weight465.44 g/mol
Exact Mass464.18
IUPAC NameN-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCC[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H33BrN4O2/c1-2-20(18-6-8-19(23)9-7-18)24-21(28)16-25-12-14-26(15-13-25)17-22(29)27-10-4-3-5-11-27/h6-9,20H,2-5,10-17H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyPDUQVNLBRDNULX-FQEVSTJZSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 51926082
1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 9443034
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51709582
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 24525788
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 30736722) is N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is CC[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is PDUQVNLBRDNULX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33BrN4O2/c1-2-20(18-6-8-19(23)9-7-18)24-21(28)16-25-12-14-26(15-13-25)17-22(29)27-10-4-3-5-11-27/h6-9,20H,2-5,10-17H2,1H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 465.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).