(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide

C19H29N3O2S — CID 97444820

IUPAC(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCCSc1ccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1
InChIInChI=1S/C19H29N3O2S/c1-2-25-18-7-5-16(6-8-18)20-19(24)22-11-10-21(13-15-3-4-15)17(14-22)9-12-23/h5-8,15,17,23H,2-4,9-14H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyOLVRMPZZXSUDDZ-QGZVFWFLSA-N
MW363.53 g/mol
LogP3.11
Rot. Bonds7

About (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide

(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 97444820) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID97444820
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCCSc1ccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1
InChIInChI=1S/C19H29N3O2S/c1-2-25-18-7-5-16(6-8-18)20-19(24)22-11-10-21(13-15-3-4-15)17(14-22)9-12-23/h5-8,15,17,23H,2-4,9-14H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyOLVRMPZZXSUDDZ-QGZVFWFLSA-N
XLogP3.11
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 72904530
2-[2-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]anilino]acetic acid
CID 50977591
2-[2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]anilino]acetic acid
CID 95140673
2-(2-chloro-4-fluorophenyl)-1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 91790650
N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide
CID 136563929
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 124753533
N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
CID 72866097
(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 98848186

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (CID 97444820) is (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is CCSc1ccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1.
What is the InChIKey of (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is OLVRMPZZXSUDDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-2-25-18-7-5-16(6-8-18)20-19(24)22-11-10-21(13-15-3-4-15)17(14-22)9-12-23/h5-8,15,17,23H,2-4,9-14H2,1H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97444820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).