N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide

C22H31N3O2 — CID 7162699

IUPACN-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-22(2,3)16-21(26)23-17-19(20-10-7-15-27-20)25-13-11-24(12-14-25)18-8-5-4-6-9-18/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyOACCKUMPPNFVMO-IBGZPJMESA-N
MW369.51 g/mol
LogP3.70
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide

N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 7162699) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID7162699
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-22(2,3)16-21(26)23-17-19(20-10-7-15-27-20)25-13-11-24(12-14-25)18-8-5-4-6-9-18/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyOACCKUMPPNFVMO-IBGZPJMESA-N
XLogP3.70
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162621
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 16809791
N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 16809755
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 16809801
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide (CID 7162699) is N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is OACCKUMPPNFVMO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N3O2/c1-22(2,3)16-21(26)23-17-19(20-10-7-15-27-20)25-13-11-24(12-14-25)18-8-5-4-6-9-18/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide?
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 369.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 7162699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).