N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

C20H28ClN3O2S — CID 45217682

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H28ClN3O2S/c21-18-6-5-17(27-18)12-22-19(25)15-2-1-9-24(13-15)16-7-10-23(11-8-16)20(26)14-3-4-14/h5-6,14-16H,1-4,7-13H2,(H,22,25)
InChIKeyUWOFXAOPZJVUGK-UHFFFAOYSA-N
MW409.98 g/mol
LogP3.13
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45217682) has the molecular formula C20H28ClN3O2S and a molecular weight of 409.98 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45217682
Molecular FormulaC20H28ClN3O2S
Molecular Weight409.98 g/mol
Exact Mass409.16
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H28ClN3O2S/c21-18-6-5-17(27-18)12-22-19(25)15-2-1-9-24(13-15)16-7-10-23(11-8-16)20(26)14-3-4-14/h5-6,14-16H,1-4,7-13H2,(H,22,25)
InChIKeyUWOFXAOPZJVUGK-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.98
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 45217682) is N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCc1ccc(Cl)s1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UWOFXAOPZJVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2S/c21-18-6-5-17(27-18)12-22-19(25)15-2-1-9-24(13-15)16-7-10-23(11-8-16)20(26)14-3-4-14/h5-6,14-16H,1-4,7-13H2,(H,22,25).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 409.98 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45217682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).