N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

C20H29N3O2 — CID 71984305

IUPACN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(NC1CCN(CC2CC2)C1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C20H29N3O2/c24-19-8-11-23(12-9-19)18-5-3-16(4-6-18)20(25)21-17-7-10-22(14-17)13-15-1-2-15/h3-6,15,17,19,24H,1-2,7-14H2,(H,21,25)
InChIKeyHQTXVAWRYXIKHK-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.86
Rot. Bonds5

About N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 71984305) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID71984305
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(NC1CCN(CC2CC2)C1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C20H29N3O2/c24-19-8-11-23(12-9-19)18-5-3-16(4-6-18)20(25)21-17-7-10-22(14-17)13-15-1-2-15/h3-6,15,17,19,24H,1-2,7-14H2,(H,21,25)
InChIKeyHQTXVAWRYXIKHK-UHFFFAOYSA-N
XLogP1.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 71984305) is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is O=C(NC1CCN(CC2CC2)C1)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is HQTXVAWRYXIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-8-11-23(12-9-19)18-5-3-16(4-6-18)20(25)21-17-7-10-22(14-17)13-15-1-2-15/h3-6,15,17,19,24H,1-2,7-14H2,(H,21,25).
What are the key properties of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 71984305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).