N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide

C18H23N3O3 — CID 94017976

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)N[C@@H](C)c3ccco3)CC2)c1
InChIInChI=1S/C18H23N3O3/c1-14(17-7-4-12-24-17)19-18(22)21-10-8-20(9-11-21)15-5-3-6-16(13-15)23-2/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyCVROPFYHRQHQIN-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.88
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide

N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 94017976) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID94017976
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)N[C@@H](C)c3ccco3)CC2)c1
InChIInChI=1S/C18H23N3O3/c1-14(17-7-4-12-24-17)19-18(22)21-10-8-20(9-11-21)15-5-3-6-16(13-15)23-2/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyCVROPFYHRQHQIN-AWEZNQCLSA-N
XLogP2.88
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
4-(3-methoxyphenyl)-N-(6-propan-2-yloxypyridazin-3-yl)piperazine-1-carboxamide
CID 136541606

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide (CID 94017976) is N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)N[C@@H](C)c3ccco3)CC2)c1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CVROPFYHRQHQIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(17-7-4-12-24-17)19-18(22)21-10-8-20(9-11-21)15-5-3-6-16(13-15)23-2/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 94017976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).