benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate

C19H26N2O3 — CID 94177956

IUPACbenzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
SMILESC[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H26N2O3/c1-14(16-7-8-16)20-18(22)17-9-11-21(12-10-17)19(23)24-13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyNAKZTOCFTOLHBT-AWEZNQCLSA-N
MW330.43 g/mol
LogP2.95
Rot. Bonds5

About benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate

benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 94177956) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID94177956
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namebenzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
SMILESC[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H26N2O3/c1-14(16-7-8-16)20-18(22)17-9-11-21(12-10-17)19(23)24-13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyNAKZTOCFTOLHBT-AWEZNQCLSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
tert-butyl 4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]piperidine-1-carboxylate
CID 154652435
benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 102563792
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-[[(2S)-2-amino-3-phenylpropanoyl]oxycarbamoyl]piperidine-1-carboxylate
CID 54293771
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate (CID 94177956) is benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate is C[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C1CC1.
What is the InChIKey of benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is NAKZTOCFTOLHBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(16-7-8-16)20-18(22)17-9-11-21(12-10-17)19(23)24-13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate?
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 94177956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).