N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide

C23H27N5O — CID 53482033

IUPACN-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCN1CCC(n2nnc3ccccc32)CC1)C1CC1c1ccccc1
InChIInChI=1S/C23H27N5O/c29-23(20-16-19(20)17-6-2-1-3-7-17)24-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)25-26-28/h1-9,18-20H,10-16H2,(H,24,29)
InChIKeyCOPKOMIQQOFXBD-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.99
Rot. Bonds6

About N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide

N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 53482033) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID53482033
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCN1CCC(n2nnc3ccccc32)CC1)C1CC1c1ccccc1
InChIInChI=1S/C23H27N5O/c29-23(20-16-19(20)17-6-2-1-3-7-17)24-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)25-26-28/h1-9,18-20H,10-16H2,(H,24,29)
InChIKeyCOPKOMIQQOFXBD-UHFFFAOYSA-N
XLogP2.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 53482033) is N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCCN1CCC(n2nnc3ccccc32)CC1)C1CC1c1ccccc1.
What is the InChIKey of N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is COPKOMIQQOFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(20-16-19(20)17-6-2-1-3-7-17)24-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)25-26-28/h1-9,18-20H,10-16H2,(H,24,29).
What are the key properties of N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 53482033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).