N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide

C20H27FN2O2 — CID 111109553

IUPACN-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN2O2/c21-17-7-5-15(6-8-17)19(24)16-9-11-23(12-10-16)20(25)22-18(13-1-2-13)14-3-4-14/h5-8,13-14,16,18-19,24H,1-4,9-12H2,(H,22,25)
InChIKeyNTZXCBFTRXQDFG-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.47
Rot. Bonds5

About N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide

N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide (PubChem CID 111109553) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
PubChem CID111109553
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN2O2/c21-17-7-5-15(6-8-17)19(24)16-9-11-23(12-10-16)20(25)22-18(13-1-2-13)14-3-4-14/h5-8,13-14,16,18-19,24H,1-4,9-12H2,(H,22,25)
InChIKeyNTZXCBFTRXQDFG-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 111482924
7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111520537
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
(Z)-3-cyclopropyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]but-2-en-1-one
CID 111109413
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 22559623

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide (CID 111109553) is N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide is O=C(NC(C1CC1)C1CC1)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
The InChIKey is NTZXCBFTRXQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-7-5-15(6-8-17)19(24)16-9-11-23(12-10-16)20(25)22-18(13-1-2-13)14-3-4-14/h5-8,13-14,16,18-19,24H,1-4,9-12H2,(H,22,25).
What are the key properties of N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 111109553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).